data_2lhv_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 2lhv _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 ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.674 0.273 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.819 0.342 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 10.2 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 7' ' ' LEU . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 5' ' ' THR . 32.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.354 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.462 ' HG1' ' N ' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.462 ' N ' ' HG1' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 5' ' ' THR . 1.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.498 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.498 ' HG1' ' C ' ' A' ' 4' ' ' THR . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.3 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 3' ' ' THR . 10.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.624 ' HG1' ' H ' ' A' ' 4' ' ' THR . 70.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.624 ' H ' ' HG1' ' A' ' 3' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.785 0.326 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.328 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.661 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.661 ' N ' ' HG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.589 ' HG1' ' N ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.707 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.707 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.821 0.344 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.773 0.32 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.827 0.346 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.744 0.307 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.595 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.769 0.319 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.762 0.315 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.419 ' C ' ' CG2' ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.44 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.44 ' HG1' ' C ' ' A' ' 4' ' ' THR . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.499 ' HG1' ' N ' ' A' ' 4' ' ' THR . 30.4 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.499 ' N ' ' HG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.702 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.702 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.798 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.859 0.361 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.685 0.278 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.777 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.777 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' C ' ' A' ' 4' ' ' THR . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.317 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' LEU . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 5' ' ' THR . 1.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 0 0 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.765 0.317 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' A' ' 5' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 0 0 . 1 . 063 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 4' ' ' THR . 5.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.476 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 064 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.445 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.599 . . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 7' ' ' LEU . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 065 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 066 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 1 1 . 1 . 066 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 067 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.688 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -56.74 2.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.049 2.499 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -48.51 97.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.98 -178.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm 60.06 27.57 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.81 174.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.005 2.47 . . . . 0.0 111.953 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.96 150.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.661 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.44 103.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -84.78 -71.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 173.44 14.49 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.025 2.483 . . . . 0.0 111.932 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p -99.57 129.3 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -42.65 -34.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' CG ' ' HN2' ' A' ' 9' ' ' NH2 . 8.8 pttt -155.17 -42.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.402 ' HN2' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -170.12 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.031 2.487 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -138.42 11.42 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 116.24 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -44.22 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 139.21 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.054 2.503 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -57.26 172.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -138.28 99.47 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 55.38 95.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.76 139.49 22.45 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.104 2.536 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER -102.86 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -155.13 -60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.154 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -25.66 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.968 2.445 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -56.64 99.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 9.7 mp -67.56 -175.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 59.6 -113.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 169.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.986 2.457 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m -101.56 94.31 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp -97.66 102.87 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp 60.08 -173.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' THR . 2.8 Cg_endo -44.55 -59.62 1.06 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.022 2.481 . . . . 0.0 112.025 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . 29.9 p 42.74 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -85.74 113.61 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 tptp 58.99 -96.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 146.81 2.09 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.047 2.498 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.29 136.64 39.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 10.2 mp -70.2 -177.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -155.17 -45.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.008 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 119.57 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.974 2.45 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 4.55 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' C ' ' H ' ' A' ' 7' ' ' LEU . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' H ' ' C ' ' A' ' 5' ' ' THR . 32.1 tp -61.35 143.01 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -154.75 143.96 21.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.979 2.453 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m -74.49 119.6 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.462 ' HG1' ' N ' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.462 ' N ' ' HG1' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.93 179.34 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -84.91 -128.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.094 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.023 2.482 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.86 88.35 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' ' O ' ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 5' ' ' THR . 1.2 tt -42.15 -65.71 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -84.8 -116.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 109.98 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.99 2.46 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p -135.26 -104.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.29 75.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -154.78 -49.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.059 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 120.1 2.56 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.044 2.496 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.81 -36.13 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.498 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 ' HG1' ' C ' ' A' ' 4' ' ' THR . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.6 121.24 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.59 -169.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.174 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 149.76 0.98 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.069 2.512 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -89.23 -156.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.446 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.84 150.92 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.9 -75.22 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 163.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.058 2.505 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -72.14 -6.28 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 8.3 mp 44.58 42.42 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tttp 60.01 -144.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 166.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.059 2.506 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.76 112.08 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.39 -175.42 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -84.83 140.44 31.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.146 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 135.64 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.084 2.522 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 3' ' ' THR . 10.2 t -165.81 75.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.47 -67.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -155.19 -72.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -57.5 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.053 2.502 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.624 ' HG1' ' H ' ' A' ' 4' ' ' THR . 70.5 p -140.81 -73.68 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.624 ' H ' ' HG1' ' A' ' 3' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -164.53 151.09 10.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 58.76 108.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -19.68 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.058 2.505 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.16 -36.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.38 -27.36 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.82 -27.21 26.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -64.85 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.01 2.473 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -99.61 -160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.3 OUTLIER -90.41 16.84 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt 59.72 -70.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.07 2.514 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -139.08 87.62 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 51.84 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 6' ' ' PRO . 3.0 tttm -155.2 149.98 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.209 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 -68.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.028 2.485 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -59.62 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.661 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.661 ' N ' ' HG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.2 OUTLIER 51.29 102.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.78 -24.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.527 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.7 157.0 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p -95.0 -121.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp 65.54 153.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 64.2 8.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.115 2.543 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -57.36 150.53 18.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.589 ' HG1' ' N ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.707 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.707 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 -19.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' CB ' ' HZ3' ' A' ' 8' ' ' LYS . 6.2 mtmp? 59.82 175.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.09 1.3 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.015 2.477 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p 46.57 80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.577 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.32 103.27 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.19 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.168 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 113.9 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.124 2.549 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m -154.33 86.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.21 97.69 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.455 ' H ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -85.02 -166.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 149.94 0.91 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -64.01 159.08 20.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.51 100.15 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.49 95.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -23.3 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.956 2.437 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.22 82.51 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.91 -56.68 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -155.27 -95.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 -25.83 10.76 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.023 2.482 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p -72.28 -53.1 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp 41.78 72.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mttp 58.79 -148.19 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -66.11 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.945 2.43 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m -140.82 111.03 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -137.46 56.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 tttp 59.88 158.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.05 2.5 . . . . 0.0 111.997 . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.91 134.73 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.595 ' N ' ' HG1' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -93.02 -103.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.511 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 59.92 146.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -41.53 146.44 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.333 2.689 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.76 120.23 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -93.06 9.55 35.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.83 138.54 32.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 164.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.028 2.485 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -86.58 73.98 9.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.576 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.71 -45.02 17.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -154.73 48.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 159.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.086 2.524 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.0 108.31 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.419 ' C ' ' CG2' ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' C ' ' HN2' ' A' ' 9' ' ' NH2 . 8.2 mt -137.32 21.95 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 59.79 -11.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.509 ' HN2' ' C ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 -61.99 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.049 2.5 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t -156.95 168.82 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.541 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.7 tp -145.35 -137.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 16.7 mttt 60.04 0.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.432 ' HN1' ' C ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 103.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.988 2.459 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 42.81 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.44 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' HG1' ' C ' ' A' ' 4' ' ' THR . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.19 13.09 36.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -84.86 81.79 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -57.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 ' HG1' ' N ' ' A' ' 4' ' ' THR . 30.4 p -72.19 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.499 ' N ' ' HG1' ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.702 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.702 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.2 OUTLIER -85.17 135.11 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 59.93 -17.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.477 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.075 -1.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 113.74 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.017 2.478 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.82 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.42 -177.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -155.19 17.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.69 174.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.046 2.498 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 -37.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.92 -54.71 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -155.21 -165.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.46 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.996 2.464 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.86 159.73 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp -101.68 -65.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -155.15 17.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.054 2.503 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 68.76 35.85 2.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.368 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' THR . 0.9 OUTLIER 46.83 35.52 3.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -155.18 -167.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 122.82 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.017 2.478 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -170.9 138.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.93 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.81 82.31 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -42.97 103.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.231 2.62 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -138.51 -175.11 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp -170.71 85.24 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 59.98 5.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.926 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.208 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 127.18 7.6 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.996 2.464 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.78 158.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.26 146.86 51.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.2 -50.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 -179.95 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.006 2.471 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -62.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.34 -57.48 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -84.8 162.56 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t -167.77 66.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.981 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.777 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.777 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 53.52 -176.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp 59.96 -121.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.102 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 -40.1 13.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.004 2.469 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -138.75 96.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' C ' ' HG1' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.508 ' HG1' ' C ' ' A' ' 4' ' ' THR . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 8' ' ' LYS . 10.9 mp 47.15 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' LEU . 20.1 tttm 60.72 128.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.485 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -14.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.055 2.503 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ACE . 63.5 p -93.0 -58.27 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.35 19.73 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -152.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.948 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 148.65 1.26 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.004 2.469 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.15 166.39 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.3 tp -138.25 -142.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.512 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -155.12 151.74 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.926 . . . . . . . . 3 3 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 100.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.077 2.518 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p -60.8 109.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.974 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.49 -37.59 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -84.78 9.63 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -14.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.072 2.515 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' ACE . 10.4 m -42.98 -52.41 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 7' ' ' LEU . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 5' ' ' THR . 1.2 tp -133.44 137.74 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mttm 59.95 104.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.642 -179.921 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -69.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.958 2.439 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.73 25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.556 -179.979 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -136.56 -104.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -84.84 26.03 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.222 -1.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 146.56 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.988 2.458 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.26 121.02 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt 51.98 85.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -84.81 26.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 153.85 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.06 2.507 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.14 138.5 9.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.84 170.33 9.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -84.81 7.25 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -53.99 4.52 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.053 2.502 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.58 106.66 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.986 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 107.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.0 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.86 1.59 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.022 2.481 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -79.88 86.2 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.01 -70.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -155.21 -50.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -17.37 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.017 2.478 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 1' ' ' ACE . 10.0 t -172.96 120.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -100.13 88.8 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -155.19 52.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 25.29 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.989 2.459 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.435 ' H ' ' C ' ' A' ' 1' ' ' ACE . 8.4 t -54.38 160.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp 49.01 100.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 -42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.083 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.9 178.72 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.427 ' O ' ' OG1' ' A' ' 5' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 127.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -84.84 -148.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -67.89 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.035 2.49 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -101.12 158.93 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mp -136.33 157.74 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' CB ' ' HZ3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER 60.15 123.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.975 . . . . . . . . 3 3 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.428 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 28.8 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.003 2.469 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.476 ' OG1' ' N ' ' A' ' 4' ' ' THR . 5.0 t -156.5 -125.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 063 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.476 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.77 -9.0 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -84.76 142.79 29.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.992 . . . . . . . . 3 3 . 1 . 063 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.4 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.99 2.46 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -100.02 177.56 5.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.977 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 7' ' ' LEU . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.488 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp 66.77 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 064 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 58.79 -149.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.962 . . . . . . . . 3 3 . 1 . 064 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.4 142.84 27.14 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.008 2.472 . . . . 0.0 112.028 . . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -58.04 79.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 3 3 . 1 . 065 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp -84.08 119.03 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 55.8 -109.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 -179.968 . . . . . . . . 1 1 . 1 . 065 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.3 9.86 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.077 2.518 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -75.43 161.9 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.87 -66.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -84.85 89.17 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.943 . . . . . . . . 1 1 . 1 . 066 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.52 101.01 1.43 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.023 2.482 . . . . 0.0 111.967 . . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m 67.15 -67.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 067 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.688 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.688 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.574 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.5 pt? -46.59 -13.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.524 ' H ' ' C ' ' A' ' 6' ' ' PRO . 22.7 mttt -155.03 -81.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 4' ' ' THR . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.674 0.273 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.819 0.342 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 5' ' ' THR . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 4' ' ' THR . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.2 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.354 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.528 ' C ' HG23 ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.528 HG23 ' C ' ' A' ' 4' ' ' THR . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.3 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' THR . 10.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 4' ' ' THR . 70.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 5' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 4' ' ' THR . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.785 0.326 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 4' ' ' THR . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.328 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.49 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.785 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.785 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.821 0.344 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.773 0.32 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.827 0.346 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.744 0.307 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 5' ' ' THR . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.769 0.319 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 5' ' ' THR . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.762 0.315 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.444 ' C ' HG22 ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.781 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.781 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.798 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.859 0.361 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.685 0.278 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 3' ' ' THR . 5.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.852 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.852 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 051 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.317 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 0 0 . 1 . 054 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 5' ' ' THR . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' THR . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 0 0 . 1 . 056 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 4' ' ' THR . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 058 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.461 ' H ' ' HD3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 3' ' ' THR . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.765 0.317 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 5' ' ' THR . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 4' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' N ' HG23 ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 0 0 . 1 . 063 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 4' ' ' THR . 5.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 064 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 065 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 066 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 2 2 . 1 . 066 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 067 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.771 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -56.74 2.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.049 2.499 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -48.51 97.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 4' ' ' THR . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.98 -178.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm 60.06 27.57 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.81 174.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.005 2.47 . . . . 0.0 111.953 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.96 150.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.661 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.44 103.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -84.78 -71.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 173.44 14.49 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.025 2.483 . . . . 0.0 111.932 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p -99.57 129.3 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 5' ' ' THR . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -42.65 -34.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -155.17 -42.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -170.12 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.031 2.487 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -138.42 11.42 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 116.24 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -44.22 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 139.21 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.054 2.503 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -57.26 172.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -138.28 99.47 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 55.38 95.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.76 139.49 22.45 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.104 2.536 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER -102.86 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -155.13 -60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.154 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -25.66 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.968 2.445 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -56.64 99.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 7' ' ' LEU . 9.7 mp -67.56 -175.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 59.6 -113.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 169.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.986 2.457 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m -101.56 94.31 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 4' ' ' THR . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp -97.66 102.87 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp 60.08 -173.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' THR . 2.8 Cg_endo -44.55 -59.62 1.06 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.022 2.481 . . . . 0.0 112.025 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . 29.9 p 42.74 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.2 tt -85.74 113.61 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 7' ' ' LEU . 4.4 tptp 58.99 -96.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 146.81 2.09 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.047 2.498 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.29 136.64 39.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.2 mp -70.2 -177.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -155.17 -45.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.008 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 119.57 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.974 2.45 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 4.55 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp -61.35 143.01 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -154.75 143.96 21.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.979 2.453 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m -74.49 119.6 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.93 179.34 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -84.91 -128.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.094 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.023 2.482 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.86 88.35 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.528 ' C ' HG23 ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.528 HG23 ' C ' ' A' ' 4' ' ' THR . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt -42.15 -65.71 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -84.8 -116.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 109.98 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.99 2.46 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p -135.26 -104.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.29 75.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -154.78 -49.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.059 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 120.1 2.56 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.044 2.496 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.81 -36.13 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.6 121.24 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.59 -169.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.174 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 149.76 0.98 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.069 2.512 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -89.23 -156.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.84 150.92 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.9 -75.22 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 163.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.058 2.505 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -72.14 -6.28 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 7' ' ' LEU . 8.3 mp 44.58 42.42 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tttp 60.01 -144.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 166.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.059 2.506 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.76 112.08 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.39 -175.42 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -84.83 140.44 31.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.146 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 135.64 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.084 2.522 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' THR . 10.2 t -165.81 75.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.47 -67.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -155.19 -72.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -57.5 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.053 2.502 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 4' ' ' THR . 70.5 p -140.81 -73.68 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 5' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 4' ' ' THR . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -164.53 151.09 10.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 58.76 108.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -19.68 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.058 2.505 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.16 -36.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.38 -27.36 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.82 -27.21 26.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -64.85 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.01 2.473 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -99.61 -160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.3 OUTLIER -90.41 16.84 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt 59.72 -70.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.07 2.514 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -139.08 87.62 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 4' ' ' THR . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 51.84 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 6' ' ' PRO . 3.0 tttm -155.2 149.98 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.209 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 -68.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.028 2.485 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -59.62 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.598 ' HG1' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.2 OUTLIER 51.29 102.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.78 -24.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.598 ' N ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.7 157.0 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p -95.0 -121.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG3' ' H ' ' A' ' 3' ' ' THR . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp 65.54 153.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 64.2 8.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.115 2.543 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -57.36 150.53 18.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.785 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 -19.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? 59.82 175.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.09 1.3 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.015 2.477 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p 46.57 80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.577 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.32 103.27 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.19 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.168 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 113.9 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.124 2.549 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m -154.33 86.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.21 97.69 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' H ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -85.02 -166.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 149.94 0.91 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -64.01 159.08 20.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -101.51 100.15 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.49 95.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -23.3 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.956 2.437 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.22 82.51 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.91 -56.68 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -155.27 -95.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 -25.83 10.76 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.023 2.482 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p -72.28 -53.1 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp 41.78 72.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mttp 58.79 -148.19 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -66.11 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.945 2.43 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m -140.82 111.03 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -137.46 56.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 tttp 59.88 158.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.05 2.5 . . . . 0.0 111.997 . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.91 134.73 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 5' ' ' THR . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -93.02 -103.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 59.92 146.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -41.53 146.44 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.333 2.689 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.76 120.23 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -93.06 9.55 35.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.83 138.54 32.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 164.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.028 2.485 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -86.58 73.98 9.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 5' ' ' THR . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -80.71 -45.02 17.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -154.73 48.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 159.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.086 2.524 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.0 108.31 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.444 ' C ' HG22 ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 8.2 mt -137.32 21.95 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 59.79 -11.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 -61.99 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.049 2.5 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t -156.95 168.82 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.7 tp -145.35 -137.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 16.7 mttt 60.04 0.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 103.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.988 2.459 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 42.81 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.19 13.09 36.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -84.86 81.79 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -57.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 p -72.19 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.781 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.781 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.17 135.11 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 59.93 -17.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.075 -1.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 113.74 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.017 2.478 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.82 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp -63.42 -177.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -155.19 17.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.69 174.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.046 2.498 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 -37.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.92 -54.71 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -155.21 -165.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.46 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.996 2.464 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.86 159.73 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp -101.68 -65.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -155.15 17.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.054 2.503 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 68.76 35.85 2.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.368 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 46.83 35.52 3.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -155.18 -167.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 122.82 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.017 2.478 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -170.9 138.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.93 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.81 82.31 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -42.97 103.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.231 2.62 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -138.51 -175.11 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp -170.71 85.24 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 59.98 5.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.926 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.208 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 127.18 7.6 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.996 2.464 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.78 158.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.26 146.86 51.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.2 -50.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 -179.95 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.006 2.471 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -62.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.34 -57.48 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -84.8 162.56 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 3' ' ' THR . 5.6 t -167.77 66.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.852 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.852 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 53.52 -176.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp 59.96 -121.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.102 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 -40.1 13.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.004 2.469 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -138.75 96.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 7' ' ' LEU . 10.9 mp 47.15 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' LEU . 20.1 tttm 60.72 128.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.485 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -14.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.055 2.503 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ACE . 63.5 p -93.0 -58.27 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.35 19.73 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -152.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.948 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 148.65 1.26 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.004 2.469 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.15 166.39 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.3 tp -138.25 -142.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -155.12 151.74 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.926 . . . . . . . . 3 3 . 1 . 051 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 100.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.077 2.518 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p -60.8 109.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.974 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.49 -37.59 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -84.78 9.63 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -14.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.072 2.515 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' ACE . 10.4 m -42.98 -52.41 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -133.44 137.74 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mttm 59.95 104.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.642 -179.921 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -69.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.958 2.439 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.73 25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.556 -179.979 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -136.56 -104.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -84.84 26.03 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.222 -1.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 146.56 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.988 2.458 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.465 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -65.26 121.02 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 5' ' ' THR . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' THR . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt 51.98 85.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -84.81 26.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 153.85 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.06 2.507 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.14 138.5 9.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -96.84 170.33 9.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -84.81 7.25 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -53.99 4.52 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.053 2.502 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.58 106.66 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.986 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 4' ' ' THR . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.66 107.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.0 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.86 1.59 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.022 2.481 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -79.88 86.2 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.461 ' H ' ' HD3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.01 -70.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -155.21 -50.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -17.37 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.017 2.478 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 3' ' ' THR . 10.0 t -172.96 120.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -100.13 88.8 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -155.19 52.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.401 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 25.29 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.989 2.459 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 1' ' ' ACE . 8.4 t -54.38 160.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.531 ' O ' HG22 ' A' ' 5' ' ' THR . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp 49.01 100.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 -42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.083 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.9 178.72 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 4' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 127.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -84.84 -148.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -67.89 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.035 2.49 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -101.12 158.93 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' N ' HG23 ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mp -136.33 157.74 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 60.15 123.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.975 . . . . . . . . 3 3 . 1 . 062 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 28.8 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.003 2.469 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 4' ' ' THR . 5.0 t -156.5 -125.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 063 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.77 -9.0 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -84.76 142.79 29.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.992 . . . . . . . . 3 3 . 1 . 063 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.4 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.99 2.46 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 177.56 5.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp 66.77 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 064 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 58.79 -149.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.962 . . . . . . . . 3 3 . 1 . 064 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.4 142.84 27.14 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.008 2.472 . . . . 0.0 112.028 . . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -58.04 79.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 3 3 . 1 . 065 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp -84.08 119.03 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 55.8 -109.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 -179.968 . . . . . . . . 1 1 . 1 . 065 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.3 9.86 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.077 2.518 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -75.43 161.9 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 2 2 . 1 . 066 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.87 -66.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -84.85 89.17 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.943 . . . . . . . . 1 1 . 1 . 066 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.52 101.01 1.43 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.023 2.482 . . . . 0.0 111.967 . . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m 67.15 -67.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 067 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.771 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? -46.59 -13.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PRO . 22.7 mttt -155.03 -81.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 0.0 110.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 4' ' ' THR . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.674 0.273 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.819 0.342 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 5' ' ' THR . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.768 0.318 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.799 0.333 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.84 0.352 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.815 0.34 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.7 mp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.786 0.327 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 4' ' ' THR . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.804 0.335 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.883 0.373 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.2 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.828 0.347 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.354 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.804 0.335 . . . . 0.0 110.555 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.528 ' C ' HG23 ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.528 HG23 ' C ' ' A' ' 4' ' ' THR . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.793 0.33 . . . . 0.0 110.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.778 0.323 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.779 0.324 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.804 0.335 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.566 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' THR . 10.2 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.789 0.328 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 4' ' ' THR . 70.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.751 0.31 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 5' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 4' ' ' THR . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.785 0.326 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.803 0.335 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 4' ' ' THR . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.788 0.328 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.49 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.795 0.331 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.785 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.785 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.874 0.369 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.821 0.344 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.773 0.32 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.597 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.827 0.346 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.744 0.307 . . . . 0.0 110.602 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 5' ' ' THR . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.769 0.319 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 5' ' ' THR . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.762 0.315 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.444 ' C ' HG22 ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.807 0.337 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.791 0.329 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.781 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.781 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.798 0.332 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.859 0.361 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.831 0.348 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 120.685 0.278 . . . . 0.0 111.368 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.877 0.37 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.819 0.342 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp . . . . . 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 3' ' ' THR . 5.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.791 0.329 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.852 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.852 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.774 0.321 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.813 0.339 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.777 0.322 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.814 0.34 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.765 0.317 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 0 0 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 5' ' ' THR . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' THR . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 0 0 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.85 0.357 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.715 0.293 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 4' ' ' THR . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.804 0.335 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.461 ' H ' ' HD3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 3' ' ' THR . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.765 0.317 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.743 0.306 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.868 0.366 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.412 ' N ' HG23 ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 0 0 . 1 . 063 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 4' ' ' THR . 5.0 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 0 0 . 1 . 064 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.749 0.309 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.765 0.317 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.708 0.29 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.771 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -56.74 2.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.049 2.499 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -48.51 97.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.578 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 4' ' ' THR . 1.4 t -89.3 167.43 13.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.538 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 5' ' ' THR . 10.2 t -157.48 74.07 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.51 -165.68 0.31 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.996 2.464 . . . . 0.0 111.996 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.9 mt -56.98 -178.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mttm 60.06 27.57 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.162 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.81 174.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.005 2.47 . . . . 0.0 111.953 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.96 150.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.661 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.73 177.64 9.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.709 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -157.47 72.95 4.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.686 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -71.46 122.55 8.73 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.704 2.27 . . . . 0.0 112.011 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.44 103.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.735 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -84.78 -71.66 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.446 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 173.44 14.49 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.025 2.483 . . . . 0.0 111.932 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 50.4 p -99.57 129.3 45.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.612 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.6 p -89.31 179.81 6.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 5' ' ' THR . 99.9 m -157.47 74.12 4.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.546 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 114.58 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.083 2.522 . . . . 0.0 111.97 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -42.65 -34.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.603 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -155.17 -42.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.391 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -170.12 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.031 2.487 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 p -138.42 11.42 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.582 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.6 p -89.21 132.18 34.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 167.12 32.21 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.595 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 101.1 1.44 Allowed 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 123.027 2.484 . . . . 0.0 111.993 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.32 116.24 16.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.75 -44.22 13.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 139.21 7.35 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.054 2.503 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -57.26 172.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.2 p -89.31 71.74 8.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.566 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.51 -41.95 0.93 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.574 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.55 29.11 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.002 2.468 . . . . 0.0 111.998 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -138.28 99.47 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.564 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp 55.38 95.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.587 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.151 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.76 139.49 22.45 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.104 2.536 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER -102.86 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.518 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 3' ' ' THR . 15.3 t -150.68 137.97 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.689 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.49 73.01 4.36 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.6 175.54 11.15 Favored 'Trans proline' 0 C--N 1.308 -1.563 0 C-N-CA 122.823 2.348 . . . . 0.0 112.118 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.37 -68.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -155.13 -60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.574 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 120.154 -1.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -25.66 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.968 2.445 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 m -56.64 99.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.5 m -89.32 81.54 6.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.649 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -82.47 -41.98 0.94 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.599 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.54 107.58 2.5 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.048 2.499 . . . . 0.0 112.038 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 7' ' ' LEU . 9.7 mp -67.56 -175.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mttm 59.6 -113.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 169.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.986 2.457 . . . . 0.0 111.953 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.2 m -101.56 94.31 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.611 ' O ' HG23 ' A' ' 4' ' ' THR . 5.9 t -150.75 75.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.533 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 115.84 60.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.544 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 101.48 1.49 Allowed 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.046 2.497 . . . . 0.0 111.996 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tp -97.66 102.87 14.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp 60.08 -173.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' THR . 2.8 Cg_endo -44.55 -59.62 1.06 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.022 2.481 . . . . 0.0 112.025 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 2' ' ' PRO . 29.9 p 42.74 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.586 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.25 120.28 30.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.47 178.44 2.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.46 177.54 8.53 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.019 2.48 . . . . 0.0 112.015 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.547 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.2 tt -85.74 113.61 22.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.61 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.547 ' N ' HD23 ' A' ' 7' ' ' LEU . 4.4 tptp 58.99 -96.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.554 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 146.81 2.09 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 123.047 2.498 . . . . 0.0 111.776 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.29 136.64 39.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.301 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.1 p -150.66 50.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.015 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 m 52.4 73.88 0.88 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.781 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.05 -169.5 0.64 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.921 2.414 . . . . 0.0 111.998 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.2 mp -70.2 -177.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -155.17 -45.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 120.008 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 119.57 2.31 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.974 2.45 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.09 4.55 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 4' ' ' THR . 0.1 OUTLIER -89.2 132.25 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 m 52.4 74.04 0.85 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 29.08 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.049 2.499 . . . . 0.0 112.038 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.1 tp -61.35 143.01 56.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.556 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -154.75 143.96 21.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 103.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.979 2.453 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 m -74.49 119.6 18.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.602 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 10.8 t -150.71 156.09 40.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.554 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.5 p 52.29 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.513 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 -169.0 0.59 Allowed 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.094 2.529 . . . . 0.0 112.003 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -78.93 179.34 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.57 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -84.91 -128.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.094 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 109.11 0.15 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 123.023 2.482 . . . . 0.0 111.997 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.86 88.35 5.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.555 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.528 ' C ' HG23 ' A' ' 5' ' ' THR . 4.8 p -89.28 25.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.528 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.528 HG23 ' C ' ' A' ' 4' ' ' THR . 0.1 OUTLIER 48.27 178.26 0.01 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.584 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.5 29.16 0.37 Allowed 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 123.063 2.509 . . . . 0.0 111.941 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt -42.15 -65.71 0.43 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.484 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -84.8 -116.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.571 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.059 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 109.98 0.2 Allowed 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.99 2.46 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 p -135.26 -104.08 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.534 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.29 141.58 28.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.591 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.2 m -157.48 74.09 4.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.55 -168.6 0.55 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 112.008 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.29 75.74 3.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.575 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -154.78 -49.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.059 -1.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 120.1 2.56 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.044 2.496 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -97.81 -36.13 10.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.549 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.75 108.78 3.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.7 m -157.51 74.15 4.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.599 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 110.87 3.18 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.092 2.528 . . . . 0.0 111.941 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.6 121.24 28.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.587 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 57.59 -169.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.524 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.174 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 149.76 0.98 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.069 2.512 . . . . 0.0 111.972 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 p -89.23 -156.18 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.544 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 5' ' ' THR . 0.5 OUTLIER -150.7 169.95 20.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.632 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.555 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 23.6 p 49.88 48.12 5.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.549 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.6 170.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.084 2.523 . . . . 0.0 111.998 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -95.84 150.92 19.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.9 -75.22 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 163.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.058 2.505 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -72.14 -6.28 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.512 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 m -89.25 136.13 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.548 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 52.22 74.06 0.85 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.65 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.44 100.5 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 123.02 2.48 . . . . 0.0 112.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 7' ' ' LEU . 8.3 mp 44.58 42.42 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 tttp 60.01 -144.88 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 166.87 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.059 2.506 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.76 112.08 4.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.566 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.498 ' O ' HG23 ' A' ' 5' ' ' THR . 54.5 m -89.24 87.57 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 4' ' ' THR . 25.5 p -156.77 74.04 4.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 125.07 8.78 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 123.023 2.482 . . . . 0.0 112.002 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -89.39 -175.42 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -84.83 140.44 31.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.146 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 135.64 9.42 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.084 2.522 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.726 ' O ' HG23 ' A' ' 3' ' ' THR . 10.2 t -165.81 75.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.0 m -89.23 102.91 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.486 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.43 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.42 104.78 1.96 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.991 2.461 . . . . 0.0 112.043 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.47 -67.91 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.526 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -155.19 -72.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.545 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.176 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -57.5 1.99 Allowed 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 123.053 2.502 . . . . 0.0 111.94 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 4' ' ' THR . 70.5 p -140.81 -73.68 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.58 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 5' ' ' THR . 9.5 t -150.77 -173.02 4.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.546 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 4' ' ' THR . 22.4 p -156.85 159.57 31.21 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.518 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.54 165.06 31.26 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.042 2.495 . . . . 0.0 111.989 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 tp -164.53 151.09 10.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt 58.76 108.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.582 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 -19.68 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.058 2.505 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.16 -36.26 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 p -89.13 138.69 31.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.05 75.91 4.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.535 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.6 120.0 5.7 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.988 2.459 . . . . 0.0 111.978 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.38 -27.36 64.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.82 -27.21 26.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -64.85 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.01 2.473 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -99.61 -160.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.2 p -150.78 29.81 0.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.594 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.568 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 2.5 m 52.77 46.96 3.74 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 162.77 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.025 2.484 . . . . 0.0 112.021 -179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.3 OUTLIER -90.41 16.84 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.7 mmtt 59.72 -70.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.533 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.522 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.07 2.514 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.4 p -139.08 87.62 2.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.509 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.446 HG22 ' H ' ' A' ' 4' ' ' THR . 1.1 t -89.24 73.5 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.518 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.56 154.87 68.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.562 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 8' ' ' LYS . 2.8 Cg_endo -44.52 124.48 5.37 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.089 2.526 . . . . 0.0 111.961 -179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 51.84 -87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 6' ' ' PRO . 3.0 tttm -155.2 149.98 26.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.209 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 -68.81 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.028 2.485 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -59.62 -80.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.9 p -89.32 143.63 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.542 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.598 ' HG1' ' N ' ' A' ' 9' ' ' NH2 . 0.1 OUTLIER -82.6 178.41 2.45 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.5 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 103.77 1.79 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.036 2.49 . . . . 0.0 111.985 179.725 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 0.2 OUTLIER 51.29 102.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.547 179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.78 -24.73 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.598 ' N ' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.072 -1.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.7 157.0 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.011 2.474 . . . . 0.0 111.971 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.493 ' OG1' ' N ' ' A' ' 4' ' ' THR . 29.8 p -95.0 -121.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.567 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.493 ' N ' ' OG1' ' A' ' 3' ' ' THR . 19.5 m -89.21 71.87 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 4' ' ' THR . 30.3 p 52.34 74.21 0.82 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.419 ' HG3' ' H ' ' A' ' 3' ' ' THR . 3.2 Cg_exo -75.62 100.95 1.43 Allowed 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.022 2.481 . . . . 0.0 111.987 179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.8 tp 65.54 153.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.91 64.2 8.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.137 -1.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 100.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.115 2.543 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 m -57.36 150.53 18.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.624 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.21 164.61 14.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.603 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.785 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.96 -44.33 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.541 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.785 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.53 157.5 40.54 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 123.046 2.497 . . . . 0.0 111.958 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.19 -19.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.565 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? 59.82 175.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.564 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.024 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.09 1.3 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.015 2.477 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.2 p 46.57 80.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.577 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.5 m -150.79 107.36 3.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.551 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 m -157.52 74.1 4.23 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.517 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.47 164.25 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.986 2.457 . . . . 0.0 112.004 179.889 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -151.32 103.27 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.617 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.19 -71.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.553 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.336 0 O-C-N 120.168 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 113.9 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.124 2.549 . . . . 0.0 111.896 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 96.6 m -154.33 86.22 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 t -150.73 25.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.543 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.55 167.07 32.51 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 -179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -177.02 3.25 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.027 2.485 . . . . 0.0 112.024 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.3 mt -122.21 97.69 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.537 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' H ' ' HG3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -85.02 -166.43 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.594 179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 149.94 0.91 Allowed 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.058 2.505 . . . . 0.0 112.026 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -64.01 159.08 20.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.3 m -89.24 104.75 17.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.58 178.5 2.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.54 -179.97 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.51 -179.27 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.941 2.428 . . . . 0.0 111.986 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -101.51 100.15 10.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 179.983 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.9 mttt 55.49 95.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.617 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.58 -23.3 0.79 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.956 2.437 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.22 82.51 2.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 t -89.33 56.51 3.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.07 0.46 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.551 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 134.82 17.41 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.064 2.51 . . . . 0.0 111.994 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -78.91 -56.68 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 -179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -155.27 -95.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.601 179.888 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.119 -1.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.48 -25.83 10.76 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.023 2.482 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.2 p -72.28 -53.1 13.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.584 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.73 -171.05 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.56 178.47 2.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.41 100.04 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.041 2.494 . . . . 0.0 111.99 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 tp 41.78 72.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.514 179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' ' OG1' ' A' ' 5' ' ' THR . 15.6 mttp 58.79 -148.19 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.532 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -66.11 0.17 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.945 2.43 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 m -140.82 111.03 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.602 -179.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 37.18 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.61 167.09 32.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.542 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -179.02 4.69 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.037 2.491 . . . . 0.0 111.934 179.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -137.46 56.1 1.78 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.583 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 tttp 59.88 158.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.572 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.096 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.406 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.05 2.5 . . . . 0.0 111.997 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -96.91 134.73 39.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.521 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 5' ' ' THR . 14.4 t -89.23 -151.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.53 ' N ' HG23 ' A' ' 4' ' ' THR . 0.5 OUTLIER -82.46 159.45 64.28 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.584 179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 174.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.074 2.516 . . . . 0.0 111.912 -179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -93.02 -103.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.543 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 59.92 146.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.493 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.12 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -41.53 146.44 0.48 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 123.333 2.689 . . . . 0.0 112.486 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.76 120.23 5.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.898 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -89.18 32.99 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.098 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.9 p 52.4 74.26 0.81 Allowed Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.958 179.859 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -73.79 177.1 8.52 Favored 'Trans proline' 0 C--N 1.308 -1.555 0 C-N-CA 122.856 2.371 . . . . 0.0 112.098 -179.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -93.06 9.55 35.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.215 179.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -84.83 138.54 32.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.748 179.796 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.098 0 O-C-N 120.172 -1.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 164.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 123.028 2.485 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -86.58 73.98 9.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.571 -179.982 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.9 p -89.16 42.67 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.542 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 5' ' ' THR . 40.6 m -157.54 46.78 0.25 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.46 156.23 0.22 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.054 2.502 . . . . 0.0 111.997 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -80.71 -45.02 17.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.577 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -154.73 48.35 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.073 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 159.67 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 123.086 2.524 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -145.0 108.31 4.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.599 -179.995 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.444 ' C ' HG22 ' A' ' 5' ' ' THR . 70.7 p -89.28 76.32 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.557 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -155.56 178.09 1.79 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.95 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.46 135.83 18.75 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.002 2.468 . . . . 0.0 111.994 179.781 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 9' ' ' NH2 . 8.2 mt -137.32 21.95 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.579 -179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? 59.79 -11.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.54 179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.087 -1.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 -61.99 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.049 2.5 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 t -156.95 168.82 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.548 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 5' ' ' THR . 64.7 p -150.67 58.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 4' ' ' THR . 41.2 p 51.94 74.04 0.86 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.538 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 100.44 1.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.015 2.477 . . . . 0.0 112.112 179.853 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.506 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 1.7 tp -145.35 -137.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.646 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 16.7 mttt 60.04 0.49 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.114 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.69 103.33 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.988 2.459 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m 42.81 92.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.531 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -89.18 133.46 34.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 m -157.53 74.07 4.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.42 177.14 9.05 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.078 2.519 . . . . 0.0 112.02 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.19 13.09 36.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.585 179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -84.86 81.79 8.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.521 -179.938 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.49 -57.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.969 2.446 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 p -72.19 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.54 179.999 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.77 116.06 5.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.781 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.89 -44.23 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 179.946 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.781 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.57 128.43 11.04 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.981 2.454 . . . . 0.0 111.99 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -85.17 135.11 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.552 179.998 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 tttt 59.93 -17.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.528 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.478 ' N ' ' O ' ' A' ' 7' ' ' LEU . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.075 -1.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 113.74 0.51 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.017 2.478 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.43 ' H ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.82 137.57 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 -179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.7 t -89.2 -174.75 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.546 180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.23 158.33 30.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 173.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.054 2.503 . . . . 0.0 112.025 -179.87 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.7 mp -63.42 -177.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.532 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -155.19 17.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.138 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.69 174.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.046 2.498 . . . . 0.0 111.946 . . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.29 -37.85 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.624 -179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.1 p -89.29 -165.23 1.29 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.572 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m 63.46 74.09 0.46 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 164.07 33.06 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.005 2.47 . . . . 0.0 111.988 179.921 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.92 -54.71 3.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.978 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' A' ' 9' ' ' NH2 . 0.0 OUTLIER -155.21 -165.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.587 179.985 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.46 ' N ' ' CD ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.44 -60.52 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.996 2.464 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.86 159.73 14.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -150.8 50.9 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.514 180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.07 75.95 4.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.549 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 146.44 30.86 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.02 2.48 . . . . 0.0 111.984 179.838 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 tp -101.68 -65.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -155.15 17.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.558 179.932 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.094 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 165.69 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 123.054 2.503 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 68.76 35.85 2.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.368 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.9 m -89.23 134.02 34.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.641 -179.884 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.488 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.52 178.44 2.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.622 179.972 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.29 29.04 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.073 2.515 . . . . 0.0 111.951 179.752 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 46.83 35.52 3.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -155.18 -167.03 2.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.625 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 122.82 4.25 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.017 2.478 . . . . 0.0 112.007 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -170.9 138.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.503 -179.986 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -150.75 -154.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.57 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.557 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 8.1 p 50.17 48.0 5.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.539 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.64 102.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.943 2.429 . . . . 0.0 111.995 -179.914 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.93 146.69 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.581 179.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.81 82.31 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.528 179.995 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.152 -1.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -42.97 103.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 123.231 2.62 . . . . 0.0 112.177 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -138.51 -175.11 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 179.946 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' THR . 18.0 m -89.34 114.36 25.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 -179.897 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.03 167.45 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 -179.887 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 98.71 1.19 Allowed 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.059 2.506 . . . . 0.0 112.111 179.759 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 tp -170.71 85.24 0.1 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.645 179.811 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 mttt 59.98 5.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.542 -179.926 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 120.208 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 127.18 7.6 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.996 2.464 . . . . 0.0 111.98 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.78 158.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 p -148.73 29.3 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.883 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.55 -41.86 0.92 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.928 179.983 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 5' ' ' THR . 3.0 Cg_exo -76.03 133.5 15.15 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.878 2.385 . . . . 0.0 111.886 179.791 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -130.26 146.86 51.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.634 -179.81 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -155.2 -50.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.457 -179.95 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.051 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.51 -59.29 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 123.006 2.471 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.06 -62.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.615 179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.3 m -150.71 134.58 16.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.553 179.974 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.436 ' OG1' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER -82.49 167.33 30.84 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.568 179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.436 ' CD ' ' OG1' ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.56 138.58 21.89 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.024 2.483 . . . . 0.0 111.961 -179.897 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -101.34 -57.48 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -84.8 162.56 19.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.132 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.61 175.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.032 2.488 . . . . 0.0 111.973 . . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 3' ' ' THR . 5.6 t -167.77 66.1 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.541 179.981 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -89.26 133.69 34.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.554 -179.99 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.852 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -157.94 -41.09 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.852 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.45 122.27 6.9 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.087 2.524 . . . . 0.0 111.986 179.873 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.7 mt 53.52 -176.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -179.991 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp 59.96 -121.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.6 -179.995 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.102 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 -40.1 13.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.004 2.469 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -138.75 96.6 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.568 -179.977 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.78 110.95 4.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.997 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 m -157.57 74.08 4.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.54 179.987 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 100.53 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.95 2.433 . . . . 0.0 112.041 179.879 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 7' ' ' LEU . 10.9 mp 47.15 89.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' LEU . 20.1 tttm 60.72 128.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.541 179.98 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.485 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 -14.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.055 2.503 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.485 ' N ' ' O ' ' A' ' 1' ' ' ACE . 63.5 p -93.0 -58.27 2.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.553 -179.993 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 5' ' ' THR . 45.9 p -89.12 45.07 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.646 179.942 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.0 OUTLIER 53.25 167.29 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 -179.917 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.52 148.57 33.51 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.036 2.49 . . . . 0.0 111.999 179.657 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.35 19.73 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.526 -179.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.17 -152.81 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.57 179.948 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.108 -1.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 148.65 1.26 Allowed 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.004 2.469 . . . . 0.0 112.008 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -74.15 166.39 23.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.597 179.951 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.75 -158.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.546 -179.997 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' CB ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -82.5 178.47 2.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 124.51 8.37 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.037 2.491 . . . . 0.0 112.029 179.638 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.3 tp -138.25 -142.31 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.634 179.993 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.48 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -155.12 151.74 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.615 179.926 . . . . . . . . 3 3 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.193 -1.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 100.43 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.077 2.518 . . . . 0.0 112.001 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.3 p -60.8 109.99 1.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.611 179.974 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.74 135.01 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.19 158.34 30.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.997 . . . . . . . . 2 2 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 136.04 9.23 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.043 2.495 . . . . 0.0 112.025 -179.876 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.49 -37.59 10.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -84.78 9.63 13.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.561 179.999 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.488 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -14.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.072 2.515 . . . . 0.0 112.012 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 1' ' ' ACE . 10.4 m -42.98 -52.41 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.545 179.954 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.75 -166.45 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p 52.35 74.12 0.84 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.54 29.17 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.958 2.439 . . . . 0.0 112.058 179.93 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -133.44 137.74 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.3 mttm 59.95 104.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.642 -179.921 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -69.55 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.958 2.439 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -168.73 25.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.556 -179.979 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -150.82 136.72 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.558 179.994 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.51 167.08 32.49 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.581 179.995 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 -161.9 0.14 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.039 2.493 . . . . 0.0 111.996 179.766 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -136.56 -104.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.563 -179.974 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -84.84 26.03 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.222 -1.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.67 146.56 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.988 2.458 . . . . 0.0 111.959 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.465 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -65.26 121.02 13.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 -179.982 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 5' ' ' THR . 63.8 p -150.75 -169.24 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.613 -179.994 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 4' ' ' THR . 23.8 p -156.66 74.57 4.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.425 -179.938 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.67 -165.82 0.32 Allowed 'Trans proline' 0 C--N 1.307 -1.648 0 C-N-CA 122.846 2.364 . . . . 0.0 111.941 179.948 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt 51.98 85.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.509 179.938 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -84.81 26.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.508 -179.98 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.086 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 153.85 0.35 Allowed 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.06 2.507 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.14 138.5 9.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 5' ' ' THR . 27.1 p -89.19 27.69 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.506 -179.948 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 54.23 155.62 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.61 -179.926 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -43.81 117.81 1.33 Allowed 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 123.149 2.566 . . . . 0.0 112.174 -179.837 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -96.84 170.33 9.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.585 -179.986 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -84.81 7.25 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 -53.99 4.52 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 123.053 2.502 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.58 106.66 5.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.571 179.986 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.588 ' O ' HG23 ' A' ' 4' ' ' THR . 11.8 t -150.73 120.43 7.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.785 179.949 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 4.1 m 52.26 47.45 4.39 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.123 -179.797 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.7 Cg_endo -45.51 176.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.6 0 C-N-CA 122.949 2.432 . . . . 0.0 112.105 179.876 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.66 107.69 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.425 179.949 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.0 103.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.593 -179.987 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.143 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 117.86 1.59 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.022 2.481 . . . . 0.0 111.977 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 m -79.88 86.2 5.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.59 179.976 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.461 ' H ' ' HD3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -150.81 28.32 0.69 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.528 -179.972 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.564 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.6 OUTLIER 67.47 46.8 0.4 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.613 -179.998 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 5' ' ' THR . 2.8 Cg_endo -44.53 146.48 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.032 2.488 . . . . 0.0 111.965 -179.935 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.01 -70.7 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.576 -179.997 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -155.21 -50.19 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.084 -1.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 -17.37 0.14 Allowed 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.017 2.478 . . . . 0.0 112.044 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 3' ' ' THR . 10.0 t -172.96 120.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.4 m -150.78 112.76 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.556 -179.995 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.1 m 52.34 74.11 0.84 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.48 148.69 33.79 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.989 2.459 . . . . 0.0 111.993 179.901 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mp -100.13 88.8 3.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.533 -179.997 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -155.19 52.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.546 179.986 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.401 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 25.29 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.989 2.459 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 1' ' ' ACE . 8.4 t -54.38 160.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.617 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -89.29 34.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.571 -179.981 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 5' ' ' THR . 55.9 m -157.49 74.2 4.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' O ' ' O ' ' A' ' 7' ' ' LEU . 3.2 Cg_exo -75.55 127.62 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.978 2.452 . . . . 0.0 111.951 179.956 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 6' ' ' PRO . 2.4 mp 49.01 100.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.591 -179.978 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.19 -42.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.611 179.995 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.168 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.52 172.09 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.083 2.522 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.9 178.72 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.606 179.962 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 4' ' ' THR . 4.7 t -150.82 79.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 4' ' ' THR . 32.0 p 52.42 74.05 0.85 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.628 -179.954 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.43 139.53 23.31 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.079 2.519 . . . . 0.0 111.972 179.992 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.77 127.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.541 179.939 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -84.84 -148.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.616 179.92 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -67.89 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.035 2.49 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -101.12 158.93 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -89.24 69.61 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.599 179.945 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 54.39 159.34 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 -179.972 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.412 ' N ' HG23 ' A' ' 5' ' ' THR . 3.2 Cg_exo -75.52 -159.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.037 2.491 . . . . 0.0 111.945 179.832 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 8' ' ' LYS . 4.1 mp -136.33 157.74 46.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER 60.15 123.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.975 . . . . . . . . 3 3 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 063 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 28.8 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.003 2.469 . . . . 0.0 112.047 . . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.592 HG23 ' N ' ' A' ' 4' ' ' THR . 5.0 t -156.5 -125.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 063 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.592 ' N ' HG23 ' A' ' 3' ' ' THR . 0.1 OUTLIER -89.4 18.92 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.501 -179.833 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.2 m 47.65 75.04 0.71 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.563 179.96 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 147.88 32.84 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.033 2.488 . . . . 0.0 112.03 179.853 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mt -138.77 -9.0 1.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.565 179.989 . . . . . . . . 1 1 . 1 . 063 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER -84.76 142.79 29.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 179.992 . . . . . . . . 3 3 . 1 . 063 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.383 0 O-C-N 120.13 -1.606 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 064 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.48 107.4 0.1 Allowed 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.99 2.46 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 177.56 5.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 179.977 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.6 p -150.74 -167.23 2.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m 52.35 74.09 0.84 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.567 -179.985 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 29.03 0.37 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 123.035 2.49 . . . . 0.0 111.97 179.942 . . . . . . . . 1 1 . 1 . 064 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 2.2 tp 66.77 -144.18 0.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 064 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 58.79 -149.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.962 . . . . . . . . 3 3 . 1 . 064 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 120.186 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 065 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.4 142.84 27.14 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 123.008 2.472 . . . . 0.0 112.028 . . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.9 m -58.04 79.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.567 179.941 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.77 116.51 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.548 179.975 . . . . . . . . 3 3 . 1 . 065 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.51 74.04 4.24 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.562 179.997 . . . . . . . . 2 2 . 1 . 065 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.5 149.34 34.57 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.967 2.444 . . . . 0.0 112.013 179.958 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tp -84.08 119.03 24.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.554 -179.971 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp 55.8 -109.8 0.52 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.6 -179.968 . . . . . . . . 1 1 . 1 . 065 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.071 -1.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 066 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 134.3 9.86 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 123.077 2.518 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -75.43 161.9 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.576 -179.972 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -150.72 130.08 12.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.569 179.922 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 15.1 p -82.52 115.82 60.34 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 179.965 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 140.96 24.78 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.048 2.499 . . . . 0.0 112.062 179.4 . . . . . . . . 2 2 . 1 . 066 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 tt -100.87 -66.73 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -84.85 89.17 7.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.943 . . . . . . . . 1 1 . 1 . 066 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.079 -1.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 067 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 4' ' ' THR . 3.1 Cg_exo -75.52 101.01 1.43 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 123.023 2.482 . . . . 0.0 111.967 . . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 m 67.15 -67.39 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.505 179.974 . . . . . . . . 1 1 . 1 . 067 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -150.7 144.54 25.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 -179.973 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.771 ' H ' ' CD ' ' A' ' 6' ' ' PRO . 0.1 OUTLIER -157.87 -44.31 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.615 179.974 . . . . . . . . 3 3 . 1 . 067 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.771 ' CD ' ' H ' ' A' ' 5' ' ' THR . 3.1 Cg_exo -75.47 145.27 29.71 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 123.063 2.509 . . . . 0.0 112.01 179.902 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.5 pt? -46.59 -13.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.55 179.962 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 6' ' ' PRO . 22.7 mttt -155.03 -81.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 -179.998 . . . . . . . . 2 2 . 1 . 067 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_