data_2dj9_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 2dj9 _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 ' 7' ' ' CYS . . . . . 0.927 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.856 -0.424 . . . . 0.96 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 2.0 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.42 ' O ' HG21 ' A' ' 9' ' ' THR . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.92 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.51 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 3.07 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.927 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.98 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 1.33 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 1.18 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 4.13 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.98 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HZ2' ' HB3' ' A' ' 20' ' ' LYS . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 2.17 110.253 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.58 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.92 109.89 176.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.96 110.061 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.802 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 2.0 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.92 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.802 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.51 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 3.07 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.98 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 1.33 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 1.18 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 4.13 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.98 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 2.17 110.372 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.58 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.92 110.941 -178.526 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.675 0.274 . . . . 0.96 110.345 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 2.0 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.92 112.287 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.51 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 3.07 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.98 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 1.33 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 1.18 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 4.13 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.98 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 2.17 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.58 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.92 110.481 179.324 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.767 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.862 0.363 . . . . 0.96 110.683 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.577 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 2.0 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.92 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.51 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 3.07 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.767 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.98 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 1.33 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 1.18 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 4.13 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.98 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 2.17 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.58 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.92 111.113 -178.845 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.653 0.264 . . . . 0.96 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.499 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 2.0 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.92 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.51 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 3.07 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.827 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.98 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 16' ' ' ASP . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 1.33 109.716 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 1.18 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 14' ' ' THR . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 4.13 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.98 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 2.17 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.58 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.92 110.704 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.9 -0.407 . . . . 0.96 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 2.0 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.92 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.51 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 3.07 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.98 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 1.33 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 1.18 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 4.13 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.98 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 2.17 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.58 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.92 110.291 177.124 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 120.866 0.365 . . . . 0.96 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 2.0 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.92 112.722 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.51 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 3.07 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.98 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.632 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 1.33 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.632 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 1.18 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 4.13 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.98 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 2.17 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.58 113.365 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.92 110.479 174.529 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.975 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.217 -0.29 . . . . 0.96 110.217 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 2.0 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.92 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.51 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.512 ' HE3' HG23 ' A' ' 14' ' ' THR . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 3.07 109.484 172.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.975 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.98 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.512 HG23 ' HE3' ' A' ' 12' ' ' MET . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 1.33 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 1.18 113.225 173.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 4.13 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.98 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 2.17 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.58 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.92 111.443 -178.293 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.901 0.381 . . . . 0.96 110.837 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.567 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 2.0 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.92 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.51 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 3.07 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.744 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.98 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 1.33 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 1.18 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 4.13 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 2.17 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.58 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.92 110.605 179.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.424 -0.213 . . . . 0.96 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 2.0 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.92 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.51 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 3.07 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.98 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 1.33 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 1.18 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 4.13 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.98 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 2.17 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.58 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.92 111.272 -179.023 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 8' ' ' LEU . 21.6 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.96 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 2.0 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 9' ' ' THR . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.92 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.51 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 3.07 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.98 110.826 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 1.33 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 1.18 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 4.13 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.98 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.17 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.58 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.92 110.719 -178.244 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 8' ' ' LEU . 52.2 t . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.899 -0.778 . . . . 0.96 108.899 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.48 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 2.0 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 9' ' ' THR . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.92 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.51 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 3.07 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.98 111.22 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 1.33 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 1.18 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 4.13 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.98 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 2.17 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.58 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.92 110.569 175.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.778 0.323 . . . . 0.96 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 2.0 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.92 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.51 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 3.07 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.98 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 1.18 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 4.13 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.98 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 2.17 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.58 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.92 110.67 -177.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.846 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.811 0.339 . . . . 0.96 110.507 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.805 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 2.0 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.92 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.51 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 3.07 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.98 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 1.33 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 1.18 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 4.13 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.98 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 2.17 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.58 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.92 111.726 -177.398 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.012 0.434 . . . . 0.96 110.79 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 2.0 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.428 ' O ' HG21 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.92 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.537 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.51 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 3.07 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.98 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 1.33 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 1.18 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 4.13 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.98 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HZ2' ' HB2' ' A' ' 20' ' ' LYS . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 2.17 110.228 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.58 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.92 110.908 -179.342 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.543 0.211 . . . . 0.96 110.622 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 2.0 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.92 112.013 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.51 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 3.07 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.98 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.583 ' HG1' ' HB2' ' A' ' 18' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 1.33 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 1.18 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' HG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 4.13 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.98 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 2.17 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.58 112.488 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.92 110.66 179.17 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 15.6 t . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.073 -0.714 . . . . 0.96 109.073 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 2.0 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.92 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.51 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 3.07 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.98 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 1.33 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 1.18 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 4.13 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.98 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 2.17 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.58 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.92 111.603 -177.698 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.774 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 110.359 -0.237 . . . . 0.96 110.359 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.476 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 2.0 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.92 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.476 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.51 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.505 ' HB2' HG22 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 3.07 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.774 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.98 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 1.33 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 1.18 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 4.13 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.475 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.98 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 2.17 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.58 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 12' ' ' MET . 10.2 t . . . . . 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.92 110.181 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.96 111.64 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 2.0 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 9' ' ' THR . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.92 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.51 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 3.07 109.019 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.98 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.583 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 1.33 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 1.18 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 4.13 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.98 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 2.17 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.58 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.92 111.101 -178.186 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.026 -0.361 . . . . 0.96 110.026 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.74 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 2.0 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.92 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.51 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 3.07 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.697 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.98 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 1.33 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 1.18 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 4.13 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.98 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 2.17 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.58 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.92 109.622 178.087 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.368 -0.234 . . . . 9.69 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -120.34 155.29 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.207 -0.451 . . . . 8.27 110.418 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.69 154.35 51.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.17 -0.468 . . . . 8.61 109.981 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.88 108.53 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.26 0.552 . . . . 4.26 111.039 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.35 17.61 56.81 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.237 -0.745 . . . . 3.21 111.237 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 125.2 7.4 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 121.105 -0.569 . . . . 2.03 111.965 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.927 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t -78.88 -100.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.856 -0.424 . . . . 0.96 109.856 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 2.0 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.42 ' O ' HG21 ' A' ' 9' ' ' THR . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.92 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.51 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 3.07 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.927 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.98 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 1.33 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 1.18 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 4.13 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.98 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HZ2' ' HB3' ' A' ' 20' ' ' LYS . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 2.17 110.253 175.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.561 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.58 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p -89.0 102.7 15.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.92 109.89 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.179 -0.915 . . . . 5.99 110.859 -177.67 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.458 0.647 . . . . 9.69 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -89.77 -92.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.867 -0.606 . . . . 8.27 111.298 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -92.38 0.59 57.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 8.61 110.637 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.12 98.02 11.5 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.881 -0.599 . . . . 4.26 109.698 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.65 78.06 1.38 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.56 -0.828 . . . . 3.21 112.713 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 -132.51 2.55 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.828 -0.701 . . . . 2.03 112.036 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.723 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t -91.91 -87.07 0.22 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.854 0.359 . . . . 0.96 110.061 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.802 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 2.0 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.439 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.92 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.802 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.51 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 3.07 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.98 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 1.33 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 1.18 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 4.13 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.98 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 2.17 110.372 178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.58 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p -84.86 -40.38 17.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.92 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.377 -0.82 . . . . 5.99 110.124 -177.851 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.413 ' H2 ' ' CD ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.899 0.333 . . . . 9.69 111.899 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -87.33 -45.12 10.87 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.999 -0.438 . . . . 8.27 110.872 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -146.17 -58.12 0.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.838 -0.43 . . . . 8.61 109.838 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.79 177.5 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.862 -0.608 . . . . 4.26 110.547 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.83 40.89 2.19 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.11 -0.567 . . . . 3.21 112.482 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.15 -155.33 17.09 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.709 -0.757 . . . . 2.03 112.596 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.498 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t -81.44 -93.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.96 110.345 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 2.0 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.92 112.287 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.51 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 3.07 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.498 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.98 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 1.33 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 1.18 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 4.13 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.98 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 2.17 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.58 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t -147.03 11.48 1.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.92 110.481 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.708 -0.678 . . . . 5.99 110.426 -179.001 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.482 0.182 . . . . 9.69 111.41 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -78.75 -22.03 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.667 -0.413 . . . . 8.27 111.709 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -81.74 -11.35 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 8.61 109.884 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -49.32 6.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.878 -0.601 . . . . 4.26 109.76 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.62 -40.45 3.03 Favored Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.833 -0.621 . . . . 3.21 112.974 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.08 -150.63 20.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.601 -0.809 . . . . 2.03 112.89 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.767 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t -91.5 -94.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.862 0.363 . . . . 0.96 110.683 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.577 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 2.0 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.92 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.577 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.51 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 3.07 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.767 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.98 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 1.33 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 1.18 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 4.13 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.98 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 2.17 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.58 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p -80.63 -11.77 59.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.92 111.113 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.826 -0.625 . . . . 5.99 109.82 177.548 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.905 0.383 . . . . 9.69 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -89.93 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 8.27 111.136 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -97.92 -1.81 42.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.298 0.571 . . . . 8.61 109.545 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 143.13 49.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 4.26 111.341 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.48 102.1 1.85 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.943 -0.646 . . . . 3.21 111.882 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.26 -161.33 22.67 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.354 -0.699 . . . . 2.03 111.354 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.827 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t -92.7 -105.72 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.796 0.298 . . . . 0.96 110.32 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.499 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 2.0 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.92 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.499 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.51 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 3.07 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.827 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.98 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.421 ' C ' ' H ' ' A' ' 16' ' ' ASP . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 1.33 109.716 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 1.18 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 14' ' ' THR . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 4.13 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.98 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 2.17 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.58 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p -78.97 -46.58 18.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.92 110.704 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.492 -0.766 . . . . 5.99 109.049 177.64 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.574 0.226 . . . . 9.69 110.606 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -122.38 -176.96 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.44 . . . . 8.27 110.82 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -111.84 113.9 26.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.663 -0.699 . . . . 8.61 109.302 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 9' ' ' THR . . . -66.5 -26.84 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 4.26 111.404 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.8 -85.02 0.17 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.355 -0.698 . . . . 3.21 111.355 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.485 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . -115.46 -79.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.739 -0.743 . . . . 2.03 111.856 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.552 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t -98.35 -94.0 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 0.96 109.9 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 2.0 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 9' ' ' THR . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.532 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.92 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.51 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 3.07 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.98 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 1.33 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 1.18 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.525 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 4.13 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.98 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 2.17 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.58 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p -98.33 -5.83 32.09 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.92 110.291 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.66 -0.7 . . . . 5.99 110.087 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.909 0.385 . . . . 9.69 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -119.65 173.94 6.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 8.27 110.165 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -88.42 -27.22 21.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.24 -0.436 . . . . 8.61 111.456 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.46 -74.4 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.357 -0.383 . . . . 4.26 111.248 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.54 119.03 4.12 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.98 -0.628 . . . . 3.21 111.676 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.14 -159.36 26.36 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.61 -0.596 . . . . 2.03 111.61 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m -78.26 -89.21 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 117.102 0.451 . . . . 0.96 110.883 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 2.0 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.462 ' O ' HG21 ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.92 112.722 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.51 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 3.07 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.98 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.632 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 1.33 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.632 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 1.18 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 4.13 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.47 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.98 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 2.17 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.58 113.365 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -95.8 133.53 39.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.92 110.479 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.548 -0.739 . . . . 5.99 110.262 176.325 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.951 -0.388 . . . . 9.69 109.951 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.56 116.38 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 8.27 111.965 -170.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -132.23 141.18 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.693 -0.685 . . . . 8.61 109.61 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.06 126.58 35.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.58 0.229 . . . . 4.26 110.441 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.01 -75.45 1.15 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.427 -0.892 . . . . 3.21 111.891 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.61 22.85 Favored Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 120.807 -0.711 . . . . 2.03 112.117 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.975 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t -78.64 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.217 -0.29 . . . . 0.96 110.217 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 2.0 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.92 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.51 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.512 ' HE3' HG23 ' A' ' 14' ' ' THR . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 3.07 109.484 172.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.975 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.98 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.512 HG23 ' HE3' ' A' ' 12' ' ' MET . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 1.33 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 1.18 113.225 173.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 4.13 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.98 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 2.17 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.58 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p -102.87 11.83 36.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.92 111.443 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.852 -0.594 . . . . 5.99 109.872 -179.829 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.916 0.389 . . . . 9.69 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -93.04 124.98 37.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.49 -0.323 . . . . 8.27 110.561 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -111.67 118.16 34.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 8.61 109.841 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.38 103.51 4.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.096 -0.502 . . . . 4.26 111.57 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.33 68.37 3.33 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.743 -0.662 . . . . 3.21 112.424 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.12 171.91 40.37 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.479 -0.648 . . . . 2.03 111.479 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.744 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t -93.95 -99.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.96 110.837 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.567 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 2.0 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.92 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.51 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 3.07 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.744 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.98 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 1.33 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 1.18 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 4.13 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.478 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 2.17 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.496 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.58 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p -95.73 12.65 29.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.92 110.605 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.476 -0.773 . . . . 5.99 109.182 -176.149 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.586 0.231 . . . . 9.69 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -97.35 11.46 36.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.066 0.46 . . . . 8.27 111.081 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -119.89 26.05 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 8.61 110.566 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 8.15 7.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.127 -0.488 . . . . 4.26 111.876 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.54 25.57 20.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 3.21 112.699 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA3' ' HG3' ' A' ' 13' ' ' ARG . . . 139.47 -107.24 0.54 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.486 -0.864 . . . . 2.03 112.144 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.11 -170.27 1.95 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.424 -0.213 . . . . 0.96 110.424 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 2.0 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.92 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.51 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 3.07 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.98 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.433 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 1.33 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 1.18 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 4.13 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.98 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 2.17 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.58 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -77.63 -21.11 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.92 111.272 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.383 -0.818 . . . . 5.99 110.682 -178.421 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.663 0.268 . . . . 9.69 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -88.71 124.89 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.105 0.479 . . . . 8.27 110.933 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -101.37 157.28 16.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.573 -0.739 . . . . 8.61 109.194 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.14 5.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.226 0.536 . . . . 4.26 111.058 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.9 67.6 0.41 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 3.21 111.756 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.553 ' HA2' ' H ' ' A' ' 13' ' ' ARG . . . 156.73 150.04 5.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.02 -0.609 . . . . 2.03 112.802 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.609 ' HB3' HD13 ' A' ' 8' ' ' LEU . 21.6 m -83.92 -94.72 0.07 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.96 111.429 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 2.0 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 9' ' ' THR . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.552 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.92 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.51 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 3.07 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' H ' ' HA2' ' A' ' 6' ' ' GLY . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.98 110.826 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.431 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 1.33 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 1.18 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.431 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 4.13 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.98 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 2.17 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.58 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t -132.09 134.09 45.08 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.92 110.719 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.298 -0.858 . . . . 5.99 109.375 175.044 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.437 ' H1 ' ' CD ' ' A' ' 1' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.948 0.404 . . . . 9.69 110.118 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -112.06 161.26 16.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.597 -0.52 . . . . 8.27 109.597 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -140.93 112.34 7.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.721 0.296 . . . . 8.61 110.722 -176.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -52.1 13.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 4.26 110.454 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.43 -133.11 15.52 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.412 -0.899 . . . . 3.21 111.118 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.12 -167.16 15.28 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.772 -0.727 . . . . 2.03 111.354 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.48 ' SG ' HD12 ' A' ' 8' ' ' LEU . 52.2 t -81.26 -86.91 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.899 -0.778 . . . . 0.96 108.899 175.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.48 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 2.0 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 9' ' ' THR . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.92 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.511 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.51 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 3.07 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.98 111.22 -176.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 1.33 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 1.18 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 4.13 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.98 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 2.17 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.58 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -89.42 12.82 15.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.92 110.569 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.154 -0.93 . . . . 5.99 110.733 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.861 0.362 . . . . 9.69 110.781 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -95.47 119.02 33.24 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.23 -0.441 . . . . 8.27 111.163 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.97 -41.47 13.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.993 -0.743 . . . . 8.61 108.993 176.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.37 80.45 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.297 -0.865 . . . . 4.26 110.593 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.85 -17.05 42.58 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.94 -0.648 . . . . 3.21 111.659 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.61 122.79 7.55 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.069 -0.812 . . . . 2.03 111.069 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.593 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t -80.52 -95.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.903 0.351 . . . . 0.96 110.418 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 2.0 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.92 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.51 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 3.07 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.593 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.98 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 1.33 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 1.18 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 4.13 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.98 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 2.17 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.58 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -126.35 6.06 7.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.92 110.67 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.848 -0.615 . . . . 5.99 109.722 173.69 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.694 -0.114 . . . . 9.69 110.694 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -79.16 -45.01 20.79 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 111.804 0.298 . . . . 8.27 111.804 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.93 7.14 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 8.61 111.619 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.58 147.57 22.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.419 . . . . 4.26 110.044 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.03 55.51 4.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.095 -0.574 . . . . 3.21 111.99 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.36 -121.54 5.77 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.134 -0.555 . . . . 2.03 112.179 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.846 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t -93.88 -85.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.96 110.507 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.805 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 2.0 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.92 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.805 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.51 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 3.07 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.846 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.98 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 1.33 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 1.18 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 4.13 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.98 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 2.17 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.527 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.58 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p -94.24 -29.73 14.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.92 111.726 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.606 -0.711 . . . . 5.99 110.052 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.152 0.501 . . . . 9.69 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -80.16 121.5 25.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.65 . . . . 8.27 109.806 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -124.04 11.4 8.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.342 0.591 . . . . 8.61 109.508 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.06 7.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.9 -0.591 . . . . 4.26 110.299 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.15 69.01 3.37 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.687 -0.688 . . . . 3.21 112.629 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.1 -135.42 12.3 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.016 -0.611 . . . . 2.03 113.216 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.754 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t -94.57 -94.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.012 0.434 . . . . 0.96 110.79 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 2.0 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.428 ' O ' HG21 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.92 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.537 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.51 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 3.07 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.754 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.98 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 1.33 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 1.18 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 4.13 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.98 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HZ2' ' HB2' ' A' ' 20' ' ' LYS . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 2.17 110.228 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.58 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -92.98 32.46 1.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.92 110.908 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.52 -0.753 . . . . 5.99 110.22 -177.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.032 0.444 . . . . 9.69 110.464 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -99.79 -35.82 9.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 8.27 111.021 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 8.61 109.911 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.48 -22.5 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 4.26 111.754 -176.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.46 -101.26 2.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.8 -0.714 . . . . 3.21 112.336 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.08 -107.22 0.96 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.826 -0.702 . . . . 2.03 112.399 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.51 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t -87.83 -102.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.034 -0.266 . . . . 0.96 110.622 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 2.0 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.447 ' O ' HG21 ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.92 112.013 -176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.485 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.51 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 3.07 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.98 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.583 ' HG1' ' HB2' ' A' ' 18' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 1.33 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 1.18 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.583 ' HB2' ' HG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 4.13 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.98 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 2.17 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.58 112.488 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -89.16 111.77 22.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.92 110.66 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.73 -0.668 . . . . 5.99 110.839 178.38 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.875 0.369 . . . . 9.69 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -155.37 123.08 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 8.27 110.09 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.491 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 30.9 t80 -157.94 125.4 5.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.868 -0.419 . . . . 8.61 109.868 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.82 34.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.349 -0.387 . . . . 4.26 111.408 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.491 ' HA2' ' CE2' ' A' ' 3' ' ' PHE . . . 79.9 -68.19 3.28 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.929 -0.653 . . . . 3.21 111.696 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' HA2' ' CZ ' ' A' ' 13' ' ' ARG . . . -161.87 -120.01 0.52 Allowed Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 110.845 -0.902 . . . . 2.03 110.845 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HB3' ' CB ' ' A' ' 11' ' ' PHE . 15.6 t -95.1 -161.72 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.073 -0.714 . . . . 0.96 109.073 170.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 2.0 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.92 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.468 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.51 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.496 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 3.07 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' CZ ' ' HA2' ' A' ' 6' ' ' GLY . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.98 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 1.33 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 1.18 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 4.13 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.98 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 2.17 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.58 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -77.92 -13.38 59.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.92 111.603 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.119 -0.943 . . . . 5.99 110.112 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.815 0.341 . . . . 9.69 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.03 -24.48 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 8.27 111.813 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -82.37 17.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.184 0.439 . . . . 8.61 112.184 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.682 0.277 . . . . 4.26 110.503 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.29 79.41 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.231 -0.509 . . . . 3.21 113.035 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.77 -168.21 37.63 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.439 -0.665 . . . . 2.03 111.439 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.774 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t -83.04 -98.33 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.943 0.371 . . . . 0.96 110.359 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 2.0 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.92 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.476 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.51 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.505 ' HB2' HG22 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 3.07 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.774 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.98 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 1.33 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 1.18 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 4.13 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.475 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.98 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 2.17 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.58 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 12' ' ' MET . 10.2 t -155.59 132.33 10.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.92 110.181 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.508 -0.758 . . . . 5.99 110.33 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.506 0.194 . . . . 9.69 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -79.39 128.18 33.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.855 0.36 . . . . 8.27 110.427 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.54 -17.13 29.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 8.61 110.644 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 136.88 42.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.657 -0.702 . . . . 4.26 110.292 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.573 ' O ' ' HA ' ' A' ' 12' ' ' MET . . . -84.3 43.93 3.27 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.902 -0.666 . . . . 3.21 112.763 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . 135.0 -81.39 0.3 Allowed Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.411 -0.9 . . . . 2.03 111.878 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.479 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m -87.73 -121.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.96 111.64 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 2.0 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 9' ' ' THR . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.92 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.479 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.51 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.573 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 3.07 109.019 170.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.425 ' H ' ' HA3' ' A' ' 6' ' ' GLY . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.98 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.583 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 1.33 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 1.18 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 4.13 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.98 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 2.17 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.58 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -136.32 128.22 29.35 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.92 111.101 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.892 -1.051 . . . . 5.99 109.992 175.172 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.587 0.232 . . . . 9.69 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -100.99 -3.39 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 8.27 111.808 -172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -90.72 35.8 0.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.021 0.439 . . . . 8.61 110.675 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.15 -37.81 28.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.736 -0.666 . . . . 4.26 110.684 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.8 59.47 1.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.604 -0.808 . . . . 3.21 112.45 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.22 -172.2 23.58 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 2.03 112.216 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.697 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t -88.44 -90.62 0.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.026 -0.361 . . . . 0.96 110.026 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.74 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 2.0 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.92 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.74 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.51 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 3.07 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.697 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.98 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 1.33 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 1.18 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 4.13 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.98 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 2.17 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.58 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 1.7 t -133.16 141.07 47.92 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.92 109.622 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' THR . 93.8 m-85 . . . . . 0 C--O 1.249 1.037 0 O-C-N 124.454 1.096 . . . . 5.99 109.912 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.932 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.856 -0.424 . . . . 0.84 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 1.36 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.36 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.42 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 2.55 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.932 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.65 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 0.72 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 0.75 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 3.54 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.7 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 1.7 110.253 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.5 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.75 109.89 176.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.84 110.061 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.885 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 1.36 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.36 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.885 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.42 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 2.55 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.65 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 0.72 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 0.75 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 3.54 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.7 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.7 110.372 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.5 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.75 110.941 -178.526 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.675 0.274 . . . . 0.84 110.345 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.521 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 1.36 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.36 112.287 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.42 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 2.55 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 HH21 ' HA ' ' A' ' 15' ' ' PRO . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.65 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 0.72 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 0.75 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 3.54 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.7 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 1.7 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.5 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.75 110.481 179.324 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.862 0.363 . . . . 0.84 110.683 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.36 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.42 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 2.55 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.764 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.65 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 0.72 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 0.75 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 3.54 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.7 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 1.7 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.5 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.75 111.113 -178.845 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.653 0.264 . . . . 0.84 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.561 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 1.36 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.36 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.42 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 2.55 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.65 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 0.72 109.716 176.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 0.75 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 3.54 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.7 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 1.7 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.5 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.75 110.704 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.9 -0.407 . . . . 0.84 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 1.36 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.42 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 2.55 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.65 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 0.72 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 0.75 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 3.54 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.7 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 1.7 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.5 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.291 177.124 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 120.866 0.365 . . . . 0.84 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.36 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.36 112.722 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.42 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 2.55 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.65 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.65 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 0.72 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 0.75 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 3.54 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 1.7 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.5 113.365 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.75 110.479 174.529 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.981 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.217 -0.29 . . . . 0.84 110.217 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 1.36 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.36 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.515 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.42 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 2.55 109.484 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 0.72 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 0.75 113.225 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 3.54 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.7 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 1.7 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.5 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.75 111.443 -178.293 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.901 0.381 . . . . 0.84 110.837 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 1.36 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.36 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.42 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 2.55 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.736 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.65 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 0.72 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 0.75 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 3.54 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.7 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 1.7 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.5 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.75 110.605 179.442 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.424 -0.213 . . . . 0.84 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 1.36 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.36 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.42 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 2.55 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.65 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 0.72 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 0.75 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 3.54 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.7 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 1.7 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.5 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.75 111.272 -179.023 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.647 ' HB3' HD12 ' A' ' 8' ' ' LEU . 21.6 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.84 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 1.36 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.36 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.42 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 2.55 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.65 110.826 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 0.72 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 0.75 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 3.54 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.7 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 1.7 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.5 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.75 110.719 -178.244 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 52.2 t . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.899 -0.778 . . . . 0.84 108.899 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 1.36 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.36 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.42 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 2.55 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.65 111.22 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 0.72 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 0.75 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 3.54 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.7 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.5 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.75 110.569 175.814 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.778 0.323 . . . . 0.84 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 1.36 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.36 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.42 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 2.55 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.65 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 0.72 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 0.75 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 3.54 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.7 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.5 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.75 110.67 -177.773 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.852 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.811 0.339 . . . . 0.84 110.507 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.883 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 1.36 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.36 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.883 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.42 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 2.55 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.852 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.65 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 0.75 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 3.54 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.7 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 1.7 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.5 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.75 111.726 -177.398 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.012 0.434 . . . . 0.84 110.79 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.36 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.42 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 2.55 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.65 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 0.72 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 0.75 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 3.54 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.7 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 1.7 110.228 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.5 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.908 -179.342 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.519 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.543 0.211 . . . . 0.84 110.622 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.538 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 1.36 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.36 112.013 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.42 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 2.55 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.65 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 0.72 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 0.75 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB2' ' OG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 3.54 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.7 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 1.7 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.5 112.488 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.75 110.66 179.17 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.073 -0.714 . . . . 0.84 109.073 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 1.36 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.36 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.42 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 2.55 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.65 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 0.72 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 0.75 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 3.54 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.7 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 1.7 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.5 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.75 111.603 -177.698 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 110.359 -0.237 . . . . 0.84 110.359 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 1.36 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.36 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.42 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.536 ' HB2' HG21 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 2.55 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.65 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 0.72 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 0.75 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 3.54 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.7 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 1.7 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.5 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 12' ' ' MET . 10.2 t . . . . . 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.75 110.181 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.84 111.64 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 1.36 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.36 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.42 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 2.55 109.019 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.65 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.594 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 0.72 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 0.75 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 3.54 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.7 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 1.7 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.5 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.75 111.101 -178.186 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.026 -0.361 . . . . 0.84 110.026 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.809 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 1.36 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.36 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.809 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.42 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 2.55 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.65 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 0.72 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 0.75 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 3.54 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.7 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 1.7 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.5 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.75 109.622 178.087 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.368 -0.234 . . . . 9.69 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -120.34 155.29 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.207 -0.451 . . . . 7.77 110.418 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.69 154.35 51.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.17 -0.468 . . . . 7.81 109.981 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.88 108.53 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.26 0.552 . . . . 4.02 111.039 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.35 17.61 56.81 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.237 -0.745 . . . . 2.87 111.237 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 125.2 7.4 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 121.105 -0.569 . . . . 1.72 111.965 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.932 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t -78.88 -100.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.856 -0.424 . . . . 0.84 109.856 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 1.36 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.36 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.42 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 2.55 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.932 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.65 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 0.72 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 0.75 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 3.54 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.7 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 1.7 110.253 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.5 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p -89.0 102.7 15.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.75 109.89 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.179 -0.915 . . . . 5.0 110.859 -177.67 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.458 0.647 . . . . 9.69 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -89.77 -92.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.867 -0.606 . . . . 7.77 111.298 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -92.38 0.59 57.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 7.81 110.637 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.12 98.02 11.5 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.881 -0.599 . . . . 4.02 109.698 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.65 78.06 1.38 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.56 -0.828 . . . . 2.87 112.713 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 -132.51 2.55 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.828 -0.701 . . . . 1.72 112.036 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t -91.91 -87.07 0.22 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.854 0.359 . . . . 0.84 110.061 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.885 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 1.36 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.36 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.885 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.42 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 2.55 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.65 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 0.72 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 0.75 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 3.54 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.7 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.7 110.372 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.5 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p -84.86 -40.38 17.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.75 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.377 -0.82 . . . . 5.0 110.124 -177.851 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.899 0.333 . . . . 9.69 111.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -87.33 -45.12 10.87 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.999 -0.438 . . . . 7.77 110.872 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -146.17 -58.12 0.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.838 -0.43 . . . . 7.81 109.838 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.79 177.5 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.862 -0.608 . . . . 4.02 110.547 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.83 40.89 2.19 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.11 -0.567 . . . . 2.87 112.482 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.15 -155.33 17.09 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.709 -0.757 . . . . 1.72 112.596 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t -81.44 -93.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.84 110.345 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 1.36 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.36 112.287 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.42 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 2.55 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 HH21 ' HA ' ' A' ' 15' ' ' PRO . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.65 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 0.72 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 0.75 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 3.54 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.7 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 1.7 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.5 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t -147.03 11.48 1.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.75 110.481 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.708 -0.678 . . . . 5.0 110.426 -179.001 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.482 0.182 . . . . 9.69 111.41 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -78.75 -22.03 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.667 -0.413 . . . . 7.77 111.709 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -81.74 -11.35 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 7.81 109.884 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -49.32 6.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.878 -0.601 . . . . 4.02 109.76 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.62 -40.45 3.03 Favored Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.833 -0.621 . . . . 2.87 112.974 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 11' ' ' PHE . . . -88.08 -150.63 20.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.601 -0.809 . . . . 1.72 112.89 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t -91.5 -94.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.862 0.363 . . . . 0.84 110.683 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.36 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.42 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 2.55 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.764 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.65 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 0.72 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 0.75 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 3.54 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.7 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 1.7 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.5 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p -80.63 -11.77 59.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.75 111.113 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.826 -0.625 . . . . 5.0 109.82 177.548 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.905 0.383 . . . . 9.69 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -89.93 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 7.77 111.136 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -97.92 -1.81 42.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.298 0.571 . . . . 7.81 109.545 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 143.13 49.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 4.02 111.341 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.48 102.1 1.85 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.943 -0.646 . . . . 2.87 111.882 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.26 -161.33 22.67 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.354 -0.699 . . . . 1.72 111.354 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t -92.7 -105.72 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.796 0.298 . . . . 0.84 110.32 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 1.36 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.36 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.42 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 2.55 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.65 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 0.72 109.716 176.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 0.75 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 3.54 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.7 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 1.7 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.5 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p -78.97 -46.58 18.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.75 110.704 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.492 -0.766 . . . . 5.0 109.049 177.64 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.574 0.226 . . . . 9.69 110.606 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -122.38 -176.96 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.44 . . . . 7.77 110.82 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -111.84 113.9 26.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.663 -0.699 . . . . 7.81 109.302 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 9' ' ' THR . . . -66.5 -26.84 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 4.02 111.404 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.8 -85.02 0.17 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.355 -0.698 . . . . 2.87 111.355 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.496 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . -115.46 -79.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.739 -0.743 . . . . 1.72 111.856 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t -98.35 -94.0 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 0.84 109.9 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 1.36 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HB1' ' A' ' 4' ' ' ALA . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.42 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 2.55 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.65 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 0.72 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 0.75 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 3.54 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.7 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 1.7 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.5 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p -98.33 -5.83 32.09 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.291 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.66 -0.7 . . . . 5.0 110.087 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.909 0.385 . . . . 9.69 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -119.65 173.94 6.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 7.77 110.165 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -88.42 -27.22 21.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.24 -0.436 . . . . 7.81 111.456 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.46 -74.4 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.357 -0.383 . . . . 4.02 111.248 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.54 119.03 4.12 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.98 -0.628 . . . . 2.87 111.676 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.14 -159.36 26.36 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.61 -0.596 . . . . 1.72 111.61 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m -78.26 -89.21 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 117.102 0.451 . . . . 0.84 110.883 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.36 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.36 112.722 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.42 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 2.55 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.65 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.65 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 0.72 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 0.75 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 3.54 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 1.7 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.5 113.365 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -95.8 133.53 39.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.75 110.479 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.548 -0.739 . . . . 5.0 110.262 176.325 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.951 -0.388 . . . . 9.69 109.951 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.56 116.38 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 7.77 111.965 -170.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -132.23 141.18 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.693 -0.685 . . . . 7.81 109.61 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.06 126.58 35.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.58 0.229 . . . . 4.02 110.441 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.01 -75.45 1.15 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.427 -0.892 . . . . 2.87 111.891 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.61 22.85 Favored Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 120.807 -0.711 . . . . 1.72 112.117 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.981 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t -78.64 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.217 -0.29 . . . . 0.84 110.217 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 1.36 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.36 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.42 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 2.55 109.484 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 0.72 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 0.75 113.225 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 3.54 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.7 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 1.7 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.5 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p -102.87 11.83 36.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.75 111.443 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.852 -0.594 . . . . 5.0 109.872 -179.829 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.916 0.389 . . . . 9.69 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -93.04 124.98 37.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.49 -0.323 . . . . 7.77 110.561 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -111.67 118.16 34.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 7.81 109.841 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.38 103.51 4.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.096 -0.502 . . . . 4.02 111.57 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.33 68.37 3.33 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.743 -0.662 . . . . 2.87 112.424 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.12 171.91 40.37 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.479 -0.648 . . . . 1.72 111.479 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t -93.95 -99.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.84 110.837 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 1.36 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.36 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.42 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 2.55 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.736 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.65 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 0.72 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 0.75 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 3.54 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.7 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 1.7 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.5 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p -95.73 12.65 29.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.75 110.605 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.476 -0.773 . . . . 5.0 109.182 -176.149 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.586 0.231 . . . . 9.69 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -97.35 11.46 36.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.066 0.46 . . . . 7.77 111.081 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -119.89 26.05 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 7.81 110.566 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 8.15 7.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.127 -0.488 . . . . 4.02 111.876 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.54 25.57 20.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 2.87 112.699 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' HA3' ' HG3' ' A' ' 13' ' ' ARG . . . 139.47 -107.24 0.54 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.486 -0.864 . . . . 1.72 112.144 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.11 -170.27 1.95 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.424 -0.213 . . . . 0.84 110.424 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 1.36 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.36 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.42 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 2.55 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.65 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 0.72 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 0.75 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 3.54 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.7 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 1.7 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.5 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -77.63 -21.11 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.75 111.272 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.383 -0.818 . . . . 5.0 110.682 -178.421 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.663 0.268 . . . . 9.69 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -88.71 124.89 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.105 0.479 . . . . 7.77 110.933 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -101.37 157.28 16.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.573 -0.739 . . . . 7.81 109.194 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.14 5.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.226 0.536 . . . . 4.02 111.058 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.9 67.6 0.41 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 2.87 111.756 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.586 ' HA2' ' H ' ' A' ' 13' ' ' ARG . . . 156.73 150.04 5.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.02 -0.609 . . . . 1.72 112.802 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.647 ' HB3' HD12 ' A' ' 8' ' ' LEU . 21.6 m -83.92 -94.72 0.07 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.84 111.429 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 1.36 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.36 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.42 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 2.55 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' H ' ' HA2' ' A' ' 6' ' ' GLY . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.65 110.826 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 0.72 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 0.75 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 3.54 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.7 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 1.7 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.5 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t -132.09 134.09 45.08 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.75 110.719 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.298 -0.858 . . . . 5.0 109.375 175.044 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.948 0.404 . . . . 9.69 110.118 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -112.06 161.26 16.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.597 -0.52 . . . . 7.77 109.597 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -140.93 112.34 7.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.721 0.296 . . . . 7.81 110.722 -176.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -52.1 13.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 4.02 110.454 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.43 -133.11 15.52 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.412 -0.899 . . . . 2.87 111.118 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.12 -167.16 15.28 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.772 -0.727 . . . . 1.72 111.354 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 52.2 t -81.26 -86.91 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.899 -0.778 . . . . 0.84 108.899 175.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 1.36 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.36 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.42 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 2.55 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.65 111.22 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 0.72 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 0.75 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 3.54 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.7 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.5 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -89.42 12.82 15.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.75 110.569 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.154 -0.93 . . . . 5.0 110.733 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.861 0.362 . . . . 9.69 110.781 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -95.47 119.02 33.24 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.77 111.163 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.97 -41.47 13.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.993 -0.743 . . . . 7.81 108.993 176.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.37 80.45 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.297 -0.865 . . . . 4.02 110.593 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.85 -17.05 42.58 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.94 -0.648 . . . . 2.87 111.659 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.61 122.79 7.55 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.069 -0.812 . . . . 1.72 111.069 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t -80.52 -95.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.903 0.351 . . . . 0.84 110.418 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 1.36 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.36 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.42 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 2.55 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.65 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 0.72 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 0.75 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 3.54 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.7 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.5 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -126.35 6.06 7.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.75 110.67 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.848 -0.615 . . . . 5.0 109.722 173.69 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.694 -0.114 . . . . 9.69 110.694 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -79.16 -45.01 20.79 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 111.804 0.298 . . . . 7.77 111.804 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.93 7.14 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 7.81 111.619 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.58 147.57 22.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.419 . . . . 4.02 110.044 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.03 55.51 4.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.095 -0.574 . . . . 2.87 111.99 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.36 -121.54 5.77 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.134 -0.555 . . . . 1.72 112.179 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.852 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t -93.88 -85.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.84 110.507 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.883 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 1.36 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.36 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.883 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.42 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 2.55 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.852 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.65 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 0.75 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 3.54 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.7 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 1.7 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.5 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p -94.24 -29.73 14.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.75 111.726 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.606 -0.711 . . . . 5.0 110.052 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.152 0.501 . . . . 9.69 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -80.16 121.5 25.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.65 . . . . 7.77 109.806 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -124.04 11.4 8.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.342 0.591 . . . . 7.81 109.508 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.06 7.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.9 -0.591 . . . . 4.02 110.299 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.15 69.01 3.37 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.687 -0.688 . . . . 2.87 112.629 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.1 -135.42 12.3 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.016 -0.611 . . . . 1.72 113.216 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t -94.57 -94.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.012 0.434 . . . . 0.84 110.79 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.36 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.42 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 2.55 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.65 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 0.72 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 0.75 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 3.54 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.7 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 1.7 110.228 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.5 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -92.98 32.46 1.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.908 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.52 -0.753 . . . . 5.0 110.22 -177.825 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.032 0.444 . . . . 9.69 110.464 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -99.79 -35.82 9.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 7.77 111.021 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 7.81 109.911 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.48 -22.5 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 4.02 111.754 -176.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.46 -101.26 2.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.8 -0.714 . . . . 2.87 112.336 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.08 -107.22 0.96 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.826 -0.702 . . . . 1.72 112.399 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t -87.83 -102.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.034 -0.266 . . . . 0.84 110.622 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 1.36 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.36 112.013 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.42 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 2.55 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.65 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 0.72 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 0.75 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB2' ' OG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 3.54 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.7 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 1.7 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.5 112.488 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -89.16 111.77 22.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.75 110.66 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.73 -0.668 . . . . 5.0 110.839 178.38 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.875 0.369 . . . . 9.69 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -155.37 123.08 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 7.77 110.09 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.497 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 30.9 t80 -157.94 125.4 5.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.868 -0.419 . . . . 7.81 109.868 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.82 34.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.349 -0.387 . . . . 4.02 111.408 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.497 ' HA2' ' CE2' ' A' ' 3' ' ' PHE . . . 79.9 -68.19 3.28 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.929 -0.653 . . . . 2.87 111.696 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 13' ' ' ARG . . . -161.87 -120.01 0.52 Allowed Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 110.845 -0.902 . . . . 1.72 110.845 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 t -95.1 -161.72 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.073 -0.714 . . . . 0.84 109.073 170.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 1.36 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.36 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.42 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 2.55 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.65 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 0.72 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 0.75 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 3.54 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.7 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 1.7 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.5 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -77.92 -13.38 59.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.75 111.603 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.119 -0.943 . . . . 5.0 110.112 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.815 0.341 . . . . 9.69 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.03 -24.48 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 7.77 111.813 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -82.37 17.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.184 0.439 . . . . 7.81 112.184 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.682 0.277 . . . . 4.02 110.503 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.29 79.41 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.231 -0.509 . . . . 2.87 113.035 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.77 -168.21 37.63 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.439 -0.665 . . . . 1.72 111.439 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t -83.04 -98.33 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.943 0.371 . . . . 0.84 110.359 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 1.36 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.36 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.42 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.536 ' HB2' HG21 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 2.55 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.65 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 0.72 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 0.75 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 3.54 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.7 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 1.7 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.5 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 12' ' ' MET . 10.2 t -155.59 132.33 10.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.75 110.181 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.508 -0.758 . . . . 5.0 110.33 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.506 0.194 . . . . 9.69 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -79.39 128.18 33.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.855 0.36 . . . . 7.77 110.427 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.54 -17.13 29.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 7.81 110.644 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 136.88 42.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.657 -0.702 . . . . 4.02 110.292 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' A' ' 12' ' ' MET . . . -84.3 43.93 3.27 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.902 -0.666 . . . . 2.87 112.763 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.502 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . 135.0 -81.39 0.3 Allowed Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.411 -0.9 . . . . 1.72 111.878 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m -87.73 -121.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.84 111.64 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 1.36 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.36 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.42 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.593 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 2.55 109.019 170.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' H ' ' HA3' ' A' ' 6' ' ' GLY . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.65 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.594 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 0.72 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 0.75 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 3.54 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.7 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 1.7 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.5 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -136.32 128.22 29.35 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.75 111.101 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.892 -1.051 . . . . 5.0 109.992 175.172 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.587 0.232 . . . . 9.69 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -100.99 -3.39 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 7.77 111.808 -172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -90.72 35.8 0.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.021 0.439 . . . . 7.81 110.675 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.15 -37.81 28.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.736 -0.666 . . . . 4.02 110.684 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.8 59.47 1.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.604 -0.808 . . . . 2.87 112.45 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.22 -172.2 23.58 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 1.72 112.216 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t -88.44 -90.62 0.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.026 -0.361 . . . . 0.84 110.026 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.809 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 1.36 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.36 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.809 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.42 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 2.55 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.65 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 0.72 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 0.75 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 3.54 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.7 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 1.7 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.5 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 1.7 t -133.16 141.07 47.92 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.75 109.622 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 22' ' ' THR . 93.8 m-85 . . . . . 0 C--O 1.249 1.037 0 O-C-N 124.454 1.096 . . . . 5.0 109.912 -174.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.932 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 109.856 -0.424 . . . . 0.84 109.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 1.36 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.36 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.42 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 2.55 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.932 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.65 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 0.72 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 0.75 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 3.54 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.7 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 1.7 110.253 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.5 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.75 109.89 176.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.84 110.061 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.885 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 1.36 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.36 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.885 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.42 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 2.55 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.65 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 0.72 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 0.75 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 3.54 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.7 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.7 110.372 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.5 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.75 110.941 -178.526 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 120.675 0.274 . . . . 0.84 110.345 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.521 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 1.36 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.36 112.287 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.42 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 2.55 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 HH21 ' HA ' ' A' ' 15' ' ' PRO . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.65 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 0.72 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 0.75 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 3.54 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.7 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 1.7 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.5 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.75 110.481 179.324 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.862 0.363 . . . . 0.84 110.683 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.36 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.42 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 2.55 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.764 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.65 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 0.72 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 0.75 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 3.54 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.7 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 1.7 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.5 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.75 111.113 -178.845 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.653 0.264 . . . . 0.84 110.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.561 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 1.36 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.36 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.42 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 2.55 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.65 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 0.72 109.716 176.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 0.75 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 3.54 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.7 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 1.7 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.5 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p . . . . . 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.75 110.704 -178.829 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 109.9 -0.407 . . . . 0.84 109.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 1.36 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.42 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 2.55 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.65 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 0.72 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 0.75 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 3.54 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.7 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 1.7 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.5 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.291 177.124 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m . . . . . 0 N--CA 1.445 -0.708 0 CA-C-O 120.866 0.365 . . . . 0.84 110.883 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.36 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.36 112.722 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.42 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 2.55 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.65 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.65 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 0.72 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 0.75 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 3.54 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 1.7 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.5 113.365 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p . . . . . 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.75 110.479 174.529 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.981 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 110.217 -0.29 . . . . 0.84 110.217 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 1.36 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.36 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.515 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.42 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 2.55 109.484 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 0.72 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 0.75 113.225 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 3.54 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.7 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 1.7 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.5 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.75 111.443 -178.293 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.901 0.381 . . . . 0.84 110.837 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 1.36 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.36 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.42 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 2.55 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.736 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.65 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 0.72 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 0.75 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 3.54 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.7 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 1.7 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.5 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.75 110.605 179.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.424 -0.213 . . . . 0.84 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 1.36 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.36 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.42 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 2.55 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.65 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 0.72 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 0.75 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 3.54 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.7 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 1.7 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.5 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.75 111.272 -179.023 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.647 ' HB3' HD12 ' A' ' 8' ' ' LEU . 21.6 m . . . . . 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.84 111.429 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 1.36 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.36 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.42 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 2.55 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.65 110.826 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 0.72 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 0.75 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 3.54 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.7 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 1.7 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.5 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t . . . . . 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.75 110.719 -178.244 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 52.2 t . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.899 -0.778 . . . . 0.84 108.899 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 1.36 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.36 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.42 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 2.55 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.65 111.22 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 0.72 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 0.75 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 3.54 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.7 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.5 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.75 110.569 175.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 120.778 0.323 . . . . 0.84 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 1.36 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.36 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.42 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 2.55 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.65 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 0.72 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 0.75 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 3.54 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.7 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.5 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.75 110.67 -177.773 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.852 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 120.811 0.339 . . . . 0.84 110.507 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.883 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 1.36 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.36 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.883 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.42 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 2.55 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.852 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.65 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 0.75 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 3.54 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.7 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 1.7 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.5 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p . . . . . 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.75 111.726 -177.398 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.012 0.434 . . . . 0.84 110.79 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.36 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.42 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 2.55 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.65 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 0.72 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 0.75 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 3.54 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.7 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 1.7 110.228 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.5 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.908 -179.342 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.519 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.543 0.211 . . . . 0.84 110.622 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.538 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 1.36 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.36 112.013 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.538 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.42 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.476 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 2.55 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.65 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 0.72 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 0.75 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB2' ' OG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 3.54 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.7 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 1.7 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.5 112.488 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.75 110.66 179.17 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.073 -0.714 . . . . 0.84 109.073 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 1.36 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.36 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.42 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 2.55 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.65 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 0.72 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 0.75 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 3.54 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.7 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 1.7 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.5 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.75 111.603 -177.698 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 110.359 -0.237 . . . . 0.84 110.359 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.52 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 1.36 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.36 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.52 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.42 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.536 ' HB2' HG21 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 2.55 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.65 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 0.72 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 0.75 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 3.54 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.7 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 1.7 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.5 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 12' ' ' MET . 10.2 t . . . . . 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.75 110.181 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m . . . . . 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.84 111.64 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 1.36 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.36 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.42 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 2.55 109.019 170.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.65 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.594 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 0.72 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 0.75 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 3.54 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.7 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 1.7 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.5 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.75 111.101 -178.186 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 110.026 -0.361 . . . . 0.84 110.026 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.809 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 1.36 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.36 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.809 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.42 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 2.55 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.65 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 0.72 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 0.75 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 3.54 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.7 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 1.7 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.5 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.75 109.622 178.087 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.368 -0.234 . . . . 9.69 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -120.34 155.29 33.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.207 -0.451 . . . . 7.77 110.418 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -133.69 154.35 51.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.17 -0.468 . . . . 7.81 109.981 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.88 108.53 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.26 0.552 . . . . 4.02 111.039 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.35 17.61 56.81 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.237 -0.745 . . . . 2.87 111.237 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -110.29 125.2 7.4 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 121.105 -0.569 . . . . 1.72 111.965 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.932 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 11.7 t -78.88 -100.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.856 -0.424 . . . . 0.84 109.856 174.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' SG ' ' A' ' 7' ' ' CYS . 6.6 mp -93.04 -162.77 0.97 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.82 -0.437 . . . . 1.36 109.82 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -66.5 107.85 2.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.56 0.695 . . . . 1.35 111.65 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 84.0 15.55 69.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.787 -0.72 . . . . 0.36 111.871 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.584 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -105.77 119.85 40.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.913 0.387 . . . . 0.42 110.947 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 ttm -81.28 103.63 11.19 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.725 -0.472 . . . . 2.55 109.725 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.932 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -91.82 132.44 36.44 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.017 -0.538 . . . . 1.65 109.729 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.5 p -106.47 161.0 24.25 Favored Pre-proline 0 C--N 1.308 -1.234 0 CA-C-N 115.598 -0.728 . . . . 0.72 110.379 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.9 -0.07 2.93 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.022 2.481 . . . . 0.75 111.68 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -78.84 -15.55 58.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.939 -1.028 . . . . 1.99 108.884 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 28.84 20.32 Favored Glycine 0 C--N 1.336 0.551 0 CA-C-N 115.631 -0.713 . . . . 0.66 112.206 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -135.0 145.21 47.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.722 0.296 . . . . 3.54 110.844 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.5 m -115.11 121.82 44.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.7 110.901 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.42 115.74 25.31 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 110.253 -0.277 . . . . 1.7 110.253 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 51.8 Cg_exo -54.49 141.05 74.26 Favored 'Trans proline' 0 N--CA 1.464 -0.252 0 C-N-CA 122.306 2.004 . . . . 0.5 112.367 175.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.6 p -89.0 102.7 15.34 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.826 -0.624 . . . . 1.75 109.89 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.0 p90 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.179 -0.915 . . . . 5.0 110.859 -177.67 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.458 0.647 . . . . 9.69 110.843 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -89.77 -92.67 0.12 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.867 -0.606 . . . . 7.77 111.298 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -92.38 0.59 57.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.278 0.561 . . . . 7.81 110.637 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.12 98.02 11.5 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.881 -0.599 . . . . 4.02 109.698 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.65 78.06 1.38 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.56 -0.828 . . . . 2.87 112.713 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 169.77 -132.51 2.55 Favored Glycine 0 N--CA 1.44 -1.081 0 C-N-CA 120.828 -0.701 . . . . 1.72 112.036 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.728 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 34.5 t -91.91 -87.07 0.22 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.854 0.359 . . . . 0.84 110.061 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.885 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 93.4 mt -92.32 -169.5 2.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.434 -0.348 . . . . 1.36 110.646 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.9 t -49.41 -41.96 41.1 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.807 0.669 . . . . 1.35 112.807 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -133.05 37.91 1.94 Allowed Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.98 -0.848 . . . . 0.36 110.98 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.885 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 7.4 m-85 -116.12 127.49 54.88 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.43 -0.385 . . . . 0.42 110.564 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 54.3 ttm -85.6 106.64 17.05 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.458 -0.571 . . . . 2.55 109.458 173.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.728 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 43.9 ttp180 -79.44 112.92 17.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.249 -0.648 . . . . 1.65 109.249 173.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.8 p -79.04 155.5 77.39 Favored Pre-proline 0 C--N 1.31 -1.139 0 CA-C-N 115.502 -0.772 . . . . 0.72 110.267 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.9 -23.69 17.03 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 123.285 2.657 . . . . 0.75 113.413 174.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -86.38 4.75 38.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 1.99 110.998 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.42 26.78 41.9 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.317 -0.468 . . . . 0.66 113.702 173.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -105.39 123.88 48.61 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.157 0.503 . . . . 3.54 110.854 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.1 m -95.1 93.75 7.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.792 -0.64 . . . . 0.7 110.495 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 19.4 pttp -108.95 124.35 34.41 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.404 -0.362 . . . . 1.7 110.372 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 53.1 Cg_exo -56.8 135.59 71.5 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.713 2.276 . . . . 0.5 112.392 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.5 p -84.86 -40.38 17.17 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.204 -0.907 . . . . 1.75 110.941 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.1 t80 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.377 -0.82 . . . . 5.0 110.124 -177.851 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 111.899 0.333 . . . . 9.69 111.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -87.33 -45.12 10.87 Favored 'General case' 0 C--N 1.332 -0.163 0 O-C-N 121.999 -0.438 . . . . 7.77 110.872 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -146.17 -58.12 0.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.838 -0.43 . . . . 7.81 109.838 -178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.79 177.5 6.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.862 -0.608 . . . . 4.02 110.547 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.83 40.89 2.19 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.11 -0.567 . . . . 2.87 112.482 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.15 -155.33 17.09 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.709 -0.757 . . . . 1.72 112.596 177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.2 t -81.44 -93.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.675 0.274 . . . . 0.84 110.345 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.521 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 71.5 mt -91.45 -170.2 2.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.418 -0.586 . . . . 1.36 109.418 173.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 9' ' ' THR . 6.8 t -62.91 104.96 0.6 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.417 0.627 . . . . 1.35 111.199 179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.2 22.75 58.47 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.858 -0.687 . . . . 0.36 112.287 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 7.7 m-85 -109.81 126.82 54.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.906 0.384 . . . . 0.42 111.162 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.7 ttt -79.35 101.39 8.07 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.491 -0.559 . . . . 2.55 109.491 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 HH21 ' HA ' ' A' ' 15' ' ' PRO . 1.4 ttp180 -85.18 111.68 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.573 -0.529 . . . . 1.65 109.573 175.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.2 p -79.08 159.94 72.1 Favored Pre-proline 0 C--N 1.311 -1.066 0 CA-C-N 115.88 -0.6 . . . . 0.72 110.153 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.515 ' HA ' HH21 ' A' ' 13' ' ' ARG . 26.4 Cg_endo -63.07 -10.37 20.47 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.832 2.355 . . . . 0.75 111.436 174.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -79.07 -26.91 43.03 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.816 -1.083 . . . . 1.99 110.46 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.47 -10.07 21.96 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.952 -0.642 . . . . 0.66 112.661 176.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.0 ttp180 -79.9 136.94 36.78 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.798 0.333 . . . . 3.54 111.073 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.8 m -106.87 110.99 23.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.978 -0.556 . . . . 0.7 110.024 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.69 116.48 19.47 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.342 -0.39 . . . . 1.7 110.504 -177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 85.4 Cg_exo -48.64 139.66 23.46 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 123.501 2.8 . . . . 0.5 113.56 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.1 t -147.03 11.48 1.05 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.812 -0.631 . . . . 1.75 110.481 179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.708 -0.678 . . . . 5.0 110.426 -179.001 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.482 0.182 . . . . 9.69 111.41 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -78.75 -22.03 47.07 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.667 -0.413 . . . . 7.77 111.709 -170.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -81.74 -11.35 59.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 7.81 109.884 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -49.32 6.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.878 -0.601 . . . . 4.02 109.76 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 85.62 -40.45 3.03 Favored Glycine 0 N--CA 1.453 -0.215 0 CA-C-N 115.833 -0.621 . . . . 2.87 112.974 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 11' ' ' PHE . . . -88.08 -150.63 20.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.601 -0.809 . . . . 1.72 112.89 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.764 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 29.8 t -91.5 -94.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.862 0.363 . . . . 0.84 110.683 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 77.3 mt -90.94 -171.08 2.89 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.509 178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.4 t -55.94 100.73 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.552 0.691 . . . . 1.35 111.665 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 21.21 66.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.758 . . . . 0.36 112.738 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.638 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.1 m-85 -106.92 141.88 37.44 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.877 0.37 . . . . 0.42 111.322 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 14.5 tpt -92.68 108.52 20.05 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.85 -0.614 . . . . 2.55 110.041 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.764 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 32.6 ttp180 -86.95 113.63 22.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.945 -0.57 . . . . 1.65 109.642 173.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.458 ' OG1' ' HB3' ' A' ' 18' ' ' ARG . 59.7 p -81.67 155.61 70.87 Favored Pre-proline 0 C--N 1.311 -1.077 0 CA-C-N 116.244 -0.434 . . . . 0.72 110.152 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 28.5 Cg_endo -63.12 -11.36 24.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.922 2.414 . . . . 0.75 113.258 -176.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.59 -2.12 48.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.043 0.449 . . . . 1.99 110.893 179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.57 40.77 4.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.225 -0.988 . . . . 0.66 113.673 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HB3' ' OG1' ' A' ' 14' ' ' THR . 13.0 ttp180 -116.35 139.83 49.99 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.857 -0.423 . . . . 3.54 109.857 174.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.1 m -122.2 111.94 17.57 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.489 -0.323 . . . . 0.7 110.725 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -126.82 135.22 27.01 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.622 -0.263 . . . . 1.7 110.561 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.24 137.57 71.02 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.49 2.126 . . . . 0.5 111.335 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.5 p -80.63 -11.77 59.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.235 0.54 . . . . 1.75 111.113 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.3 p90 . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.826 -0.625 . . . . 5.0 109.82 177.548 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.905 0.383 . . . . 9.69 110.734 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -89.93 30.75 1.03 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.282 0.563 . . . . 7.77 111.136 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -97.92 -1.81 42.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.298 0.571 . . . . 7.81 109.545 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.13 143.13 49.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 4.02 111.341 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.48 102.1 1.85 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.943 -0.646 . . . . 2.87 111.882 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 129.26 -161.33 22.67 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.354 -0.699 . . . . 1.72 111.354 -178.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.83 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 25.6 t -92.7 -105.72 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.796 0.298 . . . . 0.84 110.32 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 90.2 mt -91.46 -166.82 1.65 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.875 0.369 . . . . 1.36 110.795 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 9' ' ' THR . 8.1 t -65.54 104.23 0.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.571 0.701 . . . . 1.35 110.929 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.5 8.0 74.83 Favored Glycine 0 CA--C 1.517 0.195 0 C-N-CA 120.603 -0.808 . . . . 0.36 112.121 -179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.561 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 10.1 m-85 -104.35 122.29 45.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.966 0.412 . . . . 0.42 111.544 -177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 49.1 ttm -84.49 106.74 16.3 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.241 -0.652 . . . . 2.55 109.241 172.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.83 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 59.9 ttp180 -79.47 131.34 36.03 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.985 -0.552 . . . . 1.65 110.218 175.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -101.52 156.12 35.56 Favored Pre-proline 0 C--N 1.311 -1.093 0 CA-C-N 115.892 -0.594 . . . . 0.72 109.716 176.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 16.36 0.12 Allowed 'Trans proline' 0 N--CA 1.478 0.583 0 C-N-CA 123.294 2.663 . . . . 0.75 114.038 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.2 p-10 -113.17 -1.27 14.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.959 0.409 . . . . 1.99 110.256 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.45 13.28 57.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.852 -0.69 . . . . 0.66 112.587 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -97.91 141.27 31.09 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.253 0.549 . . . . 3.54 110.64 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 64.3 m -122.45 115.92 23.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.7 110.13 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -125.36 128.2 24.78 Favored Pre-proline 0 C--N 1.321 -0.644 0 C-N-CA 120.627 -0.429 . . . . 1.7 110.668 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 34.9 Cg_exo -61.51 135.38 56.77 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.849 2.366 . . . . 0.5 111.54 176.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.2 p -78.97 -46.58 18.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.428 -0.351 . . . . 1.75 110.704 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.492 -0.766 . . . . 5.0 109.049 177.64 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.574 0.226 . . . . 9.69 110.606 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 31.5 p30 -122.38 -176.96 3.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.023 0.44 . . . . 7.77 110.82 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -111.84 113.9 26.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.663 -0.699 . . . . 7.81 109.302 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 9' ' ' THR . . . -66.5 -26.84 67.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 4.02 111.404 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 148.8 -85.02 0.17 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.355 -0.698 . . . . 2.87 111.355 178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.496 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . -115.46 -79.02 0.78 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.739 -0.743 . . . . 1.72 111.856 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.535 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 7.9 t -98.35 -94.0 0.24 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.9 -0.407 . . . . 0.84 109.9 178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 6.7 mp -91.52 -175.51 4.23 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.07 -0.344 . . . . 1.36 110.07 174.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.422 ' HA ' ' HB1' ' A' ' 4' ' ' ALA . 10.2 t -61.29 119.28 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.168 0.509 . . . . 1.35 110.445 175.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 82.33 -2.59 84.47 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.51 -0.852 . . . . 0.36 112.041 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' HA ' ' HA ' ' A' ' 21' ' ' PRO . 6.4 m-85 -102.09 133.02 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.774 0.321 . . . . 0.42 110.812 -178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.71 115.9 31.35 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.494 -0.558 . . . . 2.55 109.494 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.3 ttp180 -81.67 111.79 18.26 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.968 -0.753 . . . . 1.65 108.968 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.5 p -82.78 161.16 59.39 Favored Pre-proline 0 C--N 1.313 -0.994 0 CA-C-N 116.264 -0.426 . . . . 0.72 110.842 -176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.89 -6.01 4.29 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.029 2.486 . . . . 0.75 112.994 175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -78.69 -25.76 44.82 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.423 -0.584 . . . . 1.99 109.423 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.54 13.59 29.89 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.355 -0.839 . . . . 0.66 111.589 -174.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.535 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 54.5 mtp180 -96.4 150.21 20.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.75 0.309 . . . . 3.54 111.014 -177.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -121.08 106.58 11.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.461 -0.336 . . . . 0.7 110.221 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -136.71 139.43 29.08 Favored Pre-proline 0 C--N 1.327 -0.372 0 C-N-CA 120.963 -0.295 . . . . 1.7 110.612 179.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.585 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 25.5 Cg_exo -64.46 147.46 90.53 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.769 2.312 . . . . 0.5 112.529 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.7 p -98.33 -5.83 32.09 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.291 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.9 t80 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.66 -0.7 . . . . 5.0 110.087 -179.741 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.909 0.385 . . . . 9.69 110.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -119.65 173.94 6.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.885 -0.598 . . . . 7.77 110.165 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -88.42 -27.22 21.7 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.24 -0.436 . . . . 7.81 111.456 -176.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.46 -74.4 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.357 -0.383 . . . . 4.02 111.248 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.54 119.03 4.12 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.98 -0.628 . . . . 2.87 111.676 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 91.14 -159.36 26.36 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 111.61 -0.596 . . . . 1.72 111.61 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 13' ' ' ARG . 57.1 m -78.26 -89.21 0.05 OUTLIER 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 117.102 0.451 . . . . 0.84 110.883 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.97 -170.65 2.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.36 110.34 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 9' ' ' THR . 10.0 t -65.04 108.56 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.605 0.717 . . . . 1.35 110.896 -178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.83 28.2 55.11 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.818 -0.706 . . . . 0.36 112.722 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.504 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 5.4 m-85 -107.43 115.88 30.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.901 0.382 . . . . 0.42 111.133 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 22.3 mmt -78.85 102.64 8.3 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.011 -0.54 . . . . 2.55 109.924 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 62.3 ttp180 -78.39 134.56 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.409 -0.814 . . . . 1.65 110.569 179.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.65 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 33.5 p -107.33 164.4 14.89 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.691 -0.686 . . . . 0.72 109.566 176.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 30.1 Cg_endo -63.87 -4.16 6.9 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.968 2.445 . . . . 0.75 113.171 177.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.39 -25.77 42.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.26 0.552 . . . . 1.99 109.546 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.98 7.38 50.4 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 110.568 -1.013 . . . . 0.66 110.568 -168.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 84.9 mtm180 -88.91 152.16 21.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.382 -0.409 . . . . 3.54 110.059 178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 4.0 m -133.54 106.01 7.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.195 -178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 mtmm -99.07 114.56 65.63 Favored Pre-proline 0 C--N 1.327 -0.399 0 C-N-CA 121.148 -0.221 . . . . 1.7 110.718 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.5 Cg_exo -59.03 143.2 99.9 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 123.019 2.479 . . . . 0.5 113.365 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 34.6 p -95.8 133.53 39.82 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.757 -0.656 . . . . 1.75 110.479 174.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.548 -0.739 . . . . 5.0 110.262 176.325 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 109.951 -0.388 . . . . 9.69 109.951 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -87.56 116.38 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.16 -0.473 . . . . 7.77 111.965 -170.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -132.23 141.18 48.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.693 -0.685 . . . . 7.81 109.61 174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.06 126.58 35.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.58 0.229 . . . . 4.02 110.441 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.01 -75.45 1.15 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.427 -0.892 . . . . 2.87 111.891 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.0 173.61 22.85 Favored Glycine 0 N--CA 1.442 -0.949 0 C-N-CA 120.807 -0.711 . . . . 1.72 112.117 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.981 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 46.2 t -78.64 -95.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.217 -0.29 . . . . 0.84 110.217 178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 70.6 mt -91.52 -170.91 2.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.548 -0.538 . . . . 1.36 109.548 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -62.19 108.5 1.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.389 0.614 . . . . 1.35 111.485 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.68 9.0 83.77 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.935 -0.65 . . . . 0.36 112.628 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.5 m-85 -101.59 135.12 43.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.164 0.507 . . . . 0.42 111.674 -176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.1 ttt -92.87 109.01 20.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.544 -0.753 . . . . 2.55 109.484 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.981 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 55.0 ttp180 -89.97 116.2 27.84 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 81.4 p -86.46 167.12 24.36 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 116.199 -0.455 . . . . 0.72 110.065 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 51.4 Cg_exo -57.12 -5.69 1.54 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.373 2.715 . . . . 0.75 113.225 173.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 m-20 -77.85 -32.45 52.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.466 0.651 . . . . 1.99 109.772 177.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.6 2.53 55.38 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.428 -0.806 . . . . 0.66 111.503 -174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HG2' ' HB2' ' A' ' 16' ' ' ASP . 17.0 ptp180 -87.65 148.58 24.74 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 109.482 -0.562 . . . . 3.54 109.482 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -120.81 99.42 6.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.969 -0.56 . . . . 0.7 110.75 -176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -107.63 127.52 27.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 110.091 -0.337 . . . . 1.7 110.091 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 38.1 Cg_exo -57.51 154.74 34.39 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.432 2.088 . . . . 0.5 112.04 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.2 p -102.87 11.83 36.95 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.122 -0.49 . . . . 1.75 111.443 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.852 -0.594 . . . . 5.0 109.872 -179.829 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.916 0.389 . . . . 9.69 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -93.04 124.98 37.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.49 -0.323 . . . . 7.77 110.561 -178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -111.67 118.16 34.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 7.81 109.841 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.38 103.51 4.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.096 -0.502 . . . . 4.02 111.57 -176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.33 68.37 3.33 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.743 -0.662 . . . . 2.87 112.424 -179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 176.12 171.91 40.37 Favored Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.479 -0.648 . . . . 1.72 111.479 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.736 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 44.8 t -93.95 -99.7 0.14 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.84 110.837 177.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.604 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 86.4 mt -91.35 -170.05 2.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.415 . . . . 1.36 111.057 -178.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 9' ' ' THR . 5.1 t -59.96 99.88 0.08 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.359 0.599 . . . . 1.35 111.334 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 87.65 13.79 64.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.537 -0.839 . . . . 0.36 112.089 179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 9.1 m-85 -109.89 139.39 45.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.909 0.385 . . . . 0.42 111.395 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -101.9 116.77 33.43 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.781 -0.822 . . . . 2.55 108.781 171.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.736 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 47.8 ttp180 -80.11 129.14 34.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.07 0.462 . . . . 1.65 110.32 178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.0 p -86.21 155.9 57.37 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.459 -0.792 . . . . 0.72 109.957 175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.46 -12.5 24.54 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.95 2.433 . . . . 0.75 112.685 176.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -79.08 -35.86 41.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.237 0.541 . . . . 1.99 109.915 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.79 -7.58 8.27 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.66 112.001 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -80.23 131.71 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 3.54 110.296 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 61.1 m -104.69 119.87 40.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.289 -0.414 . . . . 0.7 110.161 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 21.3 pttp -127.74 134.51 26.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.706 -0.225 . . . . 1.7 110.449 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 21.7 Cg_exo -65.03 145.03 84.31 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.881 2.388 . . . . 0.5 112.394 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 p -95.73 12.65 29.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.731 -0.668 . . . . 1.75 110.605 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 t80 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.476 -0.773 . . . . 5.0 109.182 -176.149 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.586 0.231 . . . . 9.69 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -97.35 11.46 36.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.066 0.46 . . . . 7.77 111.081 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -119.89 26.05 9.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.83 0.348 . . . . 7.81 110.566 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.06 8.15 7.71 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.127 -0.488 . . . . 4.02 111.876 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.54 25.57 20.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 2.87 112.699 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.408 ' HA3' ' HG3' ' A' ' 13' ' ' ARG . . . 139.47 -107.24 0.54 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.486 -0.864 . . . . 1.72 112.144 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.11 -170.27 1.95 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.424 -0.213 . . . . 0.84 110.424 -177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -88.22 -171.25 3.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.346 0.593 . . . . 1.36 112.101 -174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -62.71 129.7 41.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.359 -0.837 . . . . 1.35 111.781 -175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 85.28 -4.28 85.85 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.855 -0.688 . . . . 0.36 112.541 177.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -97.57 124.9 42.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.284 0.564 . . . . 0.42 111.321 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.421 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 14.7 tpt -79.69 102.95 9.27 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.8 -0.636 . . . . 2.55 109.291 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD2' ' O ' ' A' ' 14' ' ' THR . 2.3 tmm_? -82.45 118.27 23.1 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.554 -0.906 . . . . 1.65 108.554 175.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 75.6 p -87.44 160.05 48.87 Favored Pre-proline 0 C--N 1.314 -0.965 0 CA-C-N 115.886 -0.597 . . . . 0.72 110.985 -174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -62.07 -6.45 8.0 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.833 2.356 . . . . 0.75 111.821 173.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -79.45 -38.72 33.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.369 -0.832 . . . . 1.99 110.311 175.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.64 -30.97 4.08 Favored Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.787 -0.642 . . . . 0.66 111.774 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -79.15 158.77 27.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.82 0.343 . . . . 3.54 110.888 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 12' ' ' MET . 23.4 p -142.45 146.93 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.7 111.778 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -141.12 144.69 35.77 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.332 -0.395 . . . . 1.7 110.575 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.9 Cg_exo -58.65 128.57 28.7 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.311 2.008 . . . . 0.5 111.809 172.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.7 p -77.63 -21.11 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.756 -0.657 . . . . 1.75 111.272 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.383 -0.818 . . . . 5.0 110.682 -178.421 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.836 0 CA-C-O 120.663 0.268 . . . . 9.69 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -88.71 124.89 34.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.105 0.479 . . . . 7.77 110.933 -177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -101.37 157.28 16.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.573 -0.739 . . . . 7.81 109.194 175.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.44 86.14 5.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.226 0.536 . . . . 4.02 111.058 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.9 67.6 0.41 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.875 -0.602 . . . . 2.87 111.756 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.586 ' HA2' ' H ' ' A' ' 13' ' ' ARG . . . 156.73 150.04 5.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.02 -0.609 . . . . 1.72 112.802 178.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.647 ' HB3' HD12 ' A' ' 8' ' ' LEU . 21.6 m -83.92 -94.72 0.07 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.684 0.278 . . . . 0.84 111.429 175.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.647 HD12 ' HB3' ' A' ' 7' ' ' CYS . 6.0 mp -92.25 -170.98 2.67 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.054 0.454 . . . . 1.36 110.943 -178.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 t -63.24 124.85 22.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.711 -0.677 . . . . 1.35 110.818 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 78.9 13.49 83.03 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.827 -0.624 . . . . 0.36 112.782 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -108.25 129.06 55.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.826 0.346 . . . . 0.42 111.843 -178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.1 tpt -100.33 115.69 30.56 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.696 -0.684 . . . . 2.55 109.262 173.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.586 ' H ' ' HA2' ' A' ' 6' ' ' GLY . 48.2 ttp180 -82.67 137.52 34.43 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-O 121.202 0.525 . . . . 1.65 110.826 178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 16' ' ' ASP . 5.5 t -103.53 149.51 37.12 Favored Pre-proline 0 N--CA 1.442 -0.846 0 N-CA-C 108.383 -0.969 . . . . 0.72 108.383 172.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.91 -15.96 0.71 Allowed 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.593 2.862 . . . . 0.75 114.375 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 28.4 t70 -77.93 -16.17 58.41 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.032 0.444 . . . . 1.99 111.114 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.58 -6.52 41.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.66 112.534 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -89.89 143.47 26.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.93 0.395 . . . . 3.54 110.555 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.8 m -130.18 123.69 30.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 0.7 110.53 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -119.54 138.05 26.17 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 1.7 110.801 -176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 89.4 Cg_exo -53.45 135.81 61.97 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.831 2.354 . . . . 0.5 112.117 172.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.2 t -132.09 134.09 45.08 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 115.355 -0.839 . . . . 1.75 110.719 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.298 -0.858 . . . . 5.0 109.375 175.044 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.279 0 CA-C-O 120.948 0.404 . . . . 9.69 110.118 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -112.06 161.26 16.68 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.597 -0.52 . . . . 7.77 109.597 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -140.93 112.34 7.41 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.721 0.296 . . . . 7.81 110.722 -176.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.21 -52.1 13.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.965 0.412 . . . . 4.02 110.454 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.43 -133.11 15.52 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.412 -0.899 . . . . 2.87 111.118 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -115.12 -167.16 15.28 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.772 -0.727 . . . . 1.72 111.354 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 11' ' ' PHE . 52.2 t -81.26 -86.91 0.09 Allowed 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.899 -0.778 . . . . 0.84 108.899 175.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.484 HD12 ' SG ' ' A' ' 7' ' ' CYS . 7.5 mp -92.07 -170.05 2.43 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.338 -0.986 . . . . 1.36 108.338 166.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 t -64.71 112.13 3.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.304 0.573 . . . . 1.35 110.948 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.99 25.55 61.92 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.297 -0.954 . . . . 0.36 112.404 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' ' HG3' ' A' ' 21' ' ' PRO . 5.0 m-85 -110.64 124.82 52.63 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.875 0.369 . . . . 0.42 111.626 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 25.2 mmt -77.94 103.27 7.78 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.845 -0.798 . . . . 2.55 108.845 172.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 43.6 ttp180 -79.69 125.03 29.12 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.257 -0.883 . . . . 1.65 111.22 -176.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 80.5 p -95.76 153.08 39.43 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.985 -0.552 . . . . 0.72 109.852 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.17 -18.45 23.65 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 123.172 2.582 . . . . 0.75 113.659 -177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -80.57 -23.51 39.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.938 0.399 . . . . 1.99 111.007 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.86 -1.73 30.26 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.474 -0.869 . . . . 0.66 112.02 -176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -82.39 138.38 34.47 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.876 -0.787 . . . . 3.54 108.876 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -125.86 129.3 49.09 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.72 -0.392 . . . . 0.7 111.397 -171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -114.09 107.28 52.2 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.078 -0.51 . . . . 1.7 111.048 -176.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' HG3' ' CE2' ' A' ' 11' ' ' PHE . 21.4 Cg_exo -65.92 143.9 74.7 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.438 2.092 . . . . 0.5 112.225 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 36.4 p -89.42 12.82 15.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.006 -0.543 . . . . 1.75 110.569 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.154 -0.93 . . . . 5.0 110.733 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.861 0.362 . . . . 9.69 110.781 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -95.47 119.02 33.24 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.23 -0.441 . . . . 7.77 111.163 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -86.97 -41.47 13.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.993 -0.743 . . . . 7.81 108.993 176.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.37 80.45 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.297 -0.865 . . . . 4.02 110.593 176.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.85 -17.05 42.58 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.94 -0.648 . . . . 2.87 111.659 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.61 122.79 7.55 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 111.069 -0.812 . . . . 1.72 111.069 176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.8 t -80.52 -95.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.903 0.351 . . . . 0.84 110.418 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HB2' ' CD1' ' A' ' 11' ' ' PHE . 66.7 mt -92.21 -169.67 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.787 -0.449 . . . . 1.36 109.787 177.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 t -58.54 103.77 0.18 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.727 -0.669 . . . . 1.35 111.702 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.43 26.96 53.38 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.888 -0.672 . . . . 0.36 112.407 178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 8' ' ' LEU . 17.1 m-85 -114.66 123.15 48.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.862 0.363 . . . . 0.42 111.886 -176.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.9 ttp -79.31 108.91 13.18 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.253 -1.017 . . . . 2.55 108.253 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 27.6 ttp180 -80.82 121.21 25.66 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 109.802 -0.444 . . . . 1.65 109.802 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.2 p -79.47 148.28 69.75 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.158 -0.474 . . . . 0.72 110.255 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -60.54 -3.11 2.35 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.064 2.509 . . . . 0.75 113.11 176.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -92.67 -35.34 13.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.764 0.316 . . . . 1.99 110.22 176.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.88 20.72 1.83 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.532 -0.842 . . . . 0.66 112.871 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -108.4 139.84 42.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.03 0.415 . . . . 3.54 110.046 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 m -102.56 108.53 19.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.307 -0.406 . . . . 0.7 110.24 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -106.49 118.82 53.61 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.266 -0.425 . . . . 1.7 111.862 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.99 128.07 29.01 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.451 2.1 . . . . 0.5 110.997 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.5 t -126.35 6.06 7.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.932 -0.576 . . . . 1.75 110.67 -177.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 115.848 -0.615 . . . . 5.0 109.722 173.69 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.694 -0.114 . . . . 9.69 110.694 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -79.16 -45.01 20.79 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 111.804 0.298 . . . . 7.77 111.804 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -86.93 7.14 28.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 7.81 111.619 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.58 147.57 22.91 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.419 . . . . 4.02 110.044 178.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.03 55.51 4.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.095 -0.574 . . . . 2.87 111.99 178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.36 -121.54 5.77 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.134 -0.555 . . . . 1.72 112.179 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.852 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 3.9 t -93.88 -85.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 0.84 110.507 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.883 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 7.9 mp -92.25 -171.35 2.78 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.328 -0.249 . . . . 1.36 110.328 177.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.5 t -53.96 -38.56 65.11 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.331 0.493 . . . . 1.35 112.331 -176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.548 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . -129.86 30.6 3.52 Favored Glycine 0 CA--C 1.506 -0.485 0 C-N-CA 120.616 -0.802 . . . . 0.36 111.612 178.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.883 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 6.6 m-85 -112.01 118.35 35.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.42 111.155 -176.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.53 109.22 13.71 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.699 -0.852 . . . . 2.55 108.699 173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.852 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 29.3 ttt180 -84.67 128.13 34.44 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-N 116.218 -0.446 . . . . 1.65 110.135 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -81.56 156.76 70.61 Favored Pre-proline 0 C--N 1.311 -1.083 0 N-CA-C 109.158 -0.682 . . . . 0.72 109.158 175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.47 -9.94 19.84 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.331 2.021 . . . . 0.75 111.323 175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.54 -27.96 37.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.052 -0.976 . . . . 1.99 110.754 178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 116.19 -0.99 20.92 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.922 -0.656 . . . . 0.66 113.119 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -82.75 140.45 33.02 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.659 -0.318 . . . . 3.54 110.172 178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 60.9 m -122.33 113.42 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.356 -0.383 . . . . 0.7 110.422 -178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 15.8 pttp -132.22 141.3 40.87 Favored Pre-proline 0 C--N 1.326 -0.434 0 C-N-CA 120.692 -0.403 . . . . 1.7 111.121 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 48.9 Cg_exo -58.37 150.18 69.23 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.074 2.516 . . . . 0.5 112.327 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.0 p -94.24 -29.73 14.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.955 -0.566 . . . . 1.75 111.726 -177.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.606 -0.711 . . . . 5.0 110.052 -179.804 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 121.152 0.501 . . . . 9.69 110.329 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -80.16 121.5 25.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.65 . . . . 7.77 109.806 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -124.04 11.4 8.9 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.342 0.591 . . . . 7.81 109.508 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.71 79.06 7.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.9 -0.591 . . . . 4.02 110.299 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -85.15 69.01 3.37 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.687 -0.688 . . . . 2.87 112.629 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.1 -135.42 12.3 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.016 -0.611 . . . . 1.72 113.216 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 42.5 t -94.57 -94.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.012 0.434 . . . . 0.84 110.79 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 78.1 mt -90.87 -173.52 3.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.11 177.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 9' ' ' THR . 9.8 t -60.55 107.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.584 0.707 . . . . 1.35 110.938 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.56 -0.93 83.5 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.957 -0.64 . . . . 0.36 111.849 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.6 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 3.8 m-85 -97.77 136.34 38.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.54 0.21 . . . . 0.42 110.944 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 53.8 ttp -102.37 115.58 30.85 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.936 -0.764 . . . . 2.55 108.936 171.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 38.0 ttp-105 -78.4 121.6 24.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.997 -0.547 . . . . 1.65 110.982 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 49.8 p -83.61 159.81 60.28 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 115.663 -0.699 . . . . 0.72 110.196 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -59.95 -12.05 17.43 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.053 2.502 . . . . 0.75 113.136 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -81.82 -21.09 37.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.187 0.518 . . . . 1.99 110.478 178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.4 -4.76 54.75 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 111.319 -0.712 . . . . 0.66 111.319 -174.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.8 ttp180 -79.63 111.04 15.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 3.54 109.914 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -86.01 105.64 16.61 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.873 -0.603 . . . . 0.7 110.555 -178.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -103.34 119.03 56.33 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.228 -0.286 . . . . 1.7 110.228 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.552 ' HA ' ' HA ' ' A' ' 11' ' ' PHE . 50.9 Cg_exo -55.66 144.56 74.86 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.276 1.984 . . . . 0.5 111.649 173.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -92.98 32.46 1.27 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.791 -0.641 . . . . 1.75 110.908 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.52 -0.753 . . . . 5.0 110.22 -177.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 121.032 0.444 . . . . 9.69 110.464 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -99.79 -35.82 9.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.263 -0.426 . . . . 7.77 111.021 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 7.81 109.911 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.48 -22.5 60.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 4.02 111.754 -176.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 84.46 -101.26 2.44 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.8 -0.714 . . . . 2.87 112.336 179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.08 -107.22 0.96 Allowed Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.826 -0.702 . . . . 1.72 112.399 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.519 ' N ' ' HB2' ' A' ' 13' ' ' ARG . 37.6 t -87.83 -102.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.034 -0.266 . . . . 0.84 110.622 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 49.4 mt -90.94 -167.25 1.77 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.713 -0.476 . . . . 1.36 109.713 178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 9' ' ' THR . 9.6 t -66.05 103.3 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.0 0.905 . . . . 1.35 110.912 -178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.419 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 75.17 38.57 39.4 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.618 -0.719 . . . . 0.36 112.013 -176.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.538 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 12.6 m-85 -121.08 125.69 47.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.087 0.47 . . . . 0.42 111.519 178.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.476 ' HB3' ' HG3' ' A' ' 20' ' ' LYS . 16.5 tpt -78.89 105.47 10.23 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 2.55 109.284 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HB2' ' N ' ' A' ' 7' ' ' CYS . 1.6 tmm_? -79.46 105.13 10.55 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.167 -0.924 . . . . 1.65 109.165 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' HD2' ' A' ' 13' ' ' ARG . 73.2 p -79.89 159.78 70.39 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 110.011 -0.366 . . . . 0.72 110.011 179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.8 -22.23 52.45 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.609 2.206 . . . . 0.75 113.121 -177.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.62 4.29 47.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.005 0.431 . . . . 1.99 111.407 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.3 18.99 58.07 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.795 -0.717 . . . . 0.66 113.301 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB2' ' OG1' ' A' ' 14' ' ' THR . 29.0 mmm180 -91.62 142.26 27.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.091 0.446 . . . . 3.54 109.807 178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.9 m -118.79 104.63 10.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.471 -0.332 . . . . 0.7 110.365 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.476 ' HG3' ' HB3' ' A' ' 12' ' ' MET . 43.5 pttt -111.96 129.36 24.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.805 -0.179 . . . . 1.7 110.766 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 45.6 Cg_exo -59.28 125.67 18.68 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.838 2.359 . . . . 0.5 112.488 176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -89.16 111.77 22.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.75 110.66 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-N 115.73 -0.668 . . . . 5.0 110.839 178.38 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.875 0.369 . . . . 9.69 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -155.37 123.08 5.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 7.77 110.09 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.497 ' CE2' ' HA2' ' A' ' 5' ' ' GLY . 30.9 t80 -157.94 125.4 5.15 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.868 -0.419 . . . . 7.81 109.868 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 -13.82 34.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.349 -0.387 . . . . 4.02 111.408 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.497 ' HA2' ' CE2' ' A' ' 3' ' ' PHE . . . 79.9 -68.19 3.28 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 120.929 -0.653 . . . . 2.87 111.696 -177.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 13' ' ' ARG . . . -161.87 -120.01 0.52 Allowed Glycine 0 N--CA 1.44 -1.043 0 N-CA-C 110.845 -0.902 . . . . 1.72 110.845 178.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 15.6 t -95.1 -161.72 0.89 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.073 -0.714 . . . . 0.84 109.073 170.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.9 mp -78.13 -176.05 4.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.127 0.489 . . . . 1.36 111.726 -176.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 t -56.21 119.65 6.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.509 -0.768 . . . . 1.35 112.265 -175.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.13 -4.93 84.67 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.699 -0.762 . . . . 0.36 112.624 176.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 19' ' ' CYS . 14.3 m-85 -93.08 130.58 38.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.358 0.599 . . . . 0.42 111.979 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.517 ' O ' ' HA ' ' A' ' 19' ' ' CYS . 21.6 ttt -87.6 104.49 16.55 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.301 -0.863 . . . . 2.55 109.385 172.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HA ' ' HB3' ' A' ' 19' ' ' CYS . 54.8 ttp180 -78.42 131.14 36.8 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.636 -0.505 . . . . 1.65 109.636 175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.8 p -102.51 159.73 28.45 Favored Pre-proline 0 C--N 1.309 -1.16 0 CA-C-N 115.848 -0.614 . . . . 0.72 110.43 -178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.43 -8.83 9.49 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 122.919 2.412 . . . . 0.75 112.45 176.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.82 -18.74 50.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.962 -0.563 . . . . 1.99 110.163 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.12 -1.65 54.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.907 -0.663 . . . . 0.66 111.64 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -93.4 177.26 6.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 3.54 110.409 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 12' ' ' MET . 7.8 p -159.17 144.9 16.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.193 -0.458 . . . . 0.7 110.704 173.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -132.64 136.79 28.44 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.777 -0.647 . . . . 1.7 109.797 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.34 127.21 24.65 Favored 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 121.9 1.734 . . . . 0.5 111.249 172.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -77.92 -13.38 59.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.012 -0.54 . . . . 1.75 111.603 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.4 t80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.119 -0.943 . . . . 5.0 110.112 -179.891 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.815 0.341 . . . . 9.69 110.194 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -121.03 -24.48 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 7.77 111.813 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -82.37 17.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.184 0.439 . . . . 7.81 112.184 -172.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.682 0.277 . . . . 4.02 110.503 176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 75.06 20.29 79.41 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 121.231 -0.509 . . . . 2.87 113.035 176.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.77 -168.21 37.63 Favored Glycine 0 N--CA 1.449 -0.442 0 N-CA-C 111.439 -0.665 . . . . 1.72 111.439 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 6.2 t -83.04 -98.33 0.05 OUTLIER 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.943 0.371 . . . . 0.84 110.359 177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 8.0 mp -92.37 -172.41 3.09 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.598 -0.519 . . . . 1.36 109.598 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -63.88 110.62 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.478 0.656 . . . . 1.35 111.248 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.16 13.68 76.47 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.611 -0.804 . . . . 0.36 112.248 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.52 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 8.7 m-85 -105.73 122.44 46.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.845 0.355 . . . . 0.42 111.403 -178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.536 ' HB2' HG21 ' A' ' 22' ' ' THR . 48.9 ttm -79.52 104.88 10.42 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.168 -0.679 . . . . 2.55 109.168 174.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.753 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 12.0 ttp180 -84.22 109.68 17.95 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.383 -0.599 . . . . 1.65 109.383 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.6 p -79.55 152.02 75.06 Favored Pre-proline 0 C--N 1.308 -1.226 0 CA-C-N 115.934 -0.575 . . . . 0.72 110.203 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -62.94 -10.46 20.43 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.963 2.442 . . . . 0.75 111.778 177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -79.77 -23.32 42.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.317 -0.856 . . . . 1.99 110.247 176.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.66 21.64 10.27 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.095 -0.574 . . . . 0.66 112.888 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -107.96 130.66 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.669 0.271 . . . . 3.54 110.579 175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 68.5 m -111.3 115.61 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.116 -0.493 . . . . 0.7 110.909 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 22.8 pttp -134.14 137.98 29.44 Favored Pre-proline 0 C--N 1.325 -0.459 0 C-N-CA 120.645 -0.422 . . . . 1.7 110.682 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 50.8 Cg_exo -56.27 144.91 80.11 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.143 2.562 . . . . 0.5 112.527 179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.536 HG21 ' HB2' ' A' ' 12' ' ' MET . 10.2 t -155.59 132.33 10.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.179 -0.918 . . . . 1.75 110.181 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.508 -0.758 . . . . 5.0 110.33 178.003 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.506 0.194 . . . . 9.69 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -79.39 128.18 33.02 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.855 0.36 . . . . 7.77 110.427 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -89.54 -17.13 29.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.079 -0.509 . . . . 7.81 110.644 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.37 136.88 42.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.657 -0.702 . . . . 4.02 110.292 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.593 ' O ' ' HA ' ' A' ' 12' ' ' MET . . . -84.3 43.93 3.27 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.902 -0.666 . . . . 2.87 112.763 -176.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.502 ' HA3' ' H ' ' A' ' 13' ' ' ARG . . . 135.0 -81.39 0.3 Allowed Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.411 -0.9 . . . . 1.72 111.878 179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . 73.9 m -87.73 -121.82 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 120.718 0.294 . . . . 0.84 111.64 -178.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.1 mt -91.09 -166.31 1.55 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.392 -0.367 . . . . 1.36 111.582 -172.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.7 t -60.04 117.03 4.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.398 0.618 . . . . 1.35 111.408 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 21' ' ' PRO . . . 83.85 3.55 89.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.705 -0.759 . . . . 0.36 112.878 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HB3' ' HB2' ' A' ' 7' ' ' CYS . 31.7 m-85 -104.03 134.24 47.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.42 112.039 -175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.593 ' HA ' ' O ' ' A' ' 5' ' ' GLY . 57.7 ttm -106.53 119.1 38.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.109 -0.95 . . . . 2.55 109.019 170.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.502 ' H ' ' HA3' ' A' ' 6' ' ' GLY . 39.0 ttp180 -81.92 132.2 35.26 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.148 -0.316 . . . . 1.65 110.148 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.594 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 78.8 p -79.58 163.33 59.38 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 116.068 -0.515 . . . . 0.72 109.902 174.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.594 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 19.7 Cg_endo -58.57 -29.34 88.7 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.657 2.238 . . . . 0.75 112.298 178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -80.21 -29.83 38.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.513 . . . . 1.99 110.703 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.82 40.59 0.98 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.291 -0.957 . . . . 0.66 113.174 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -110.5 124.95 52.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.366 -0.605 . . . . 3.54 109.366 174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' HB3' ' HD2' ' A' ' 11' ' ' PHE . 59.2 m -90.98 113.66 25.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.885 0.374 . . . . 0.7 110.705 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 20' ' ' LYS . 39.3 pttt -115.18 124.05 30.8 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.207 -0.451 . . . . 1.7 111.076 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' GLY . 51.3 Cg_exo -60.7 132.44 42.8 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.813 1.675 . . . . 0.5 110.846 167.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -136.32 128.22 29.35 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.434 0.635 . . . . 1.75 111.101 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 117.892 -1.051 . . . . 5.0 109.992 175.172 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 120.587 0.232 . . . . 9.69 111.329 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -100.99 -3.39 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.745 0.307 . . . . 7.77 111.808 -172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -90.72 35.8 0.89 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.021 0.439 . . . . 7.81 110.675 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.15 -37.81 28.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.736 -0.666 . . . . 4.02 110.684 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.8 59.47 1.79 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.604 -0.808 . . . . 2.87 112.45 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 140.22 -172.2 23.58 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.445 -0.883 . . . . 1.72 112.216 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.709 ' HB2' ' HB2' ' A' ' 13' ' ' ARG . 53.7 t -88.44 -90.62 0.13 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.026 -0.361 . . . . 0.84 110.026 179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.809 ' H ' ' HB2' ' A' ' 11' ' ' PHE . 91.3 mt -91.71 -167.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.064 -0.347 . . . . 1.36 110.064 176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 t -49.3 -48.34 46.32 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 123.824 0.703 . . . . 1.35 112.75 -174.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.6 39.19 2.03 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.255 -0.738 . . . . 0.36 111.255 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.809 ' HB2' ' H ' ' A' ' 8' ' ' LEU . 11.0 m-85 -113.37 122.83 48.54 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.42 111.174 -176.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 23.5 ttt -79.2 100.94 7.7 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.226 -0.897 . . . . 2.55 108.881 174.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.709 ' HB2' ' HB2' ' A' ' 7' ' ' CYS . 54.9 ttp180 -80.39 127.7 32.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.752 -0.658 . . . . 1.65 110.636 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.6 p -84.01 160.96 56.73 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 115.614 -0.721 . . . . 0.72 109.538 175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.09 -17.25 14.23 Favored 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.139 2.559 . . . . 0.75 112.955 173.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -79.31 -16.61 56.08 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.921 0.391 . . . . 1.99 110.645 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.74 9.16 53.3 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.787 -0.72 . . . . 0.66 112.23 -178.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 31.6 mmm180 -81.89 158.54 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.263 . . . . 3.54 110.291 -179.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.1 m -128.45 110.24 12.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.603 -0.271 . . . . 0.7 110.504 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -120.53 119.44 30.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.511 -0.313 . . . . 1.7 110.79 178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -48.0 145.26 10.72 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.53 2.153 . . . . 0.5 112.422 172.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' PHE . 1.7 t -133.16 141.07 47.92 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.521 -0.763 . . . . 1.75 109.622 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 22' ' ' THR . 93.8 m-85 . . . . . 0 C--O 1.249 1.037 0 O-C-N 124.454 1.096 . . . . 5.0 109.912 -174.369 . . . . . . . . 1 1 . 1 stop_ save_