data_6qys_residue ############################ # Computer software used # ############################ 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 6qys _Structure_validation_residue.Date_analyzed 2019-09-06 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 ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.505 2.175 0 N-CA-C 112.93 0.319 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' GLY . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo . . . . . 0 N--CA 1.502 2.009 0 CA-C-O 121.062 0.359 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.605 ' O ' ' C ' ' A' ' 5' ' ' LYS . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.5 1.897 0 CA-C-O 121.129 0.387 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.503 2.07 0 CA-C-O 120.984 0.327 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' C ' ' A' ' 5' ' ' LYS . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo . . . . . 0 N--CA 1.499 1.828 0 CA-C-O 121.113 0.38 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.559 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.498 1.762 0 CA-C-O 121.221 0.425 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.566 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.49 1.268 0 CA-C-O 121.127 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.592 ' O ' ' O ' ' A' ' 5' ' ' LYS . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo . . . . . 0 N--CA 1.501 1.961 0 CA-C-O 121.101 0.376 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.568 ' C ' ' O ' ' A' ' 3' ' ' GLY . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.501 1.916 0 CA-C-O 121.112 0.38 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.641 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 120.881 0.284 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.565 ' C ' ' O ' ' A' ' 3' ' ' GLY . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.5 1.878 0 CA-C-O 121.121 0.384 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.567 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 121.151 0.396 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.563 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 121.183 0.41 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.558 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.503 2.075 0 CA-C-O 121.08 0.367 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.581 ' O ' ' O ' ' A' ' 3' ' ' GLY . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 N--CA 1.499 1.807 0 CA-C-O 121.189 0.412 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.569 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.603 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.809 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.7 Cg_exo -63.63 -27.95 3.65 Favored 'Cis proline' 0 N--CA 1.505 2.175 0 C-N-CA 124.724 -0.948 . . . . 0.0 112.93 1.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.809 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.781 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 15.6 Cg_exo -65.18 -26.34 5.08 Favored 'Cis proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.385 -1.09 . . . . 0.0 112.094 0.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.781 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.769 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.424 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.4 Cg_exo -68.26 -17.02 10.07 Favored 'Cis proline' 0 N--CA 1.5 1.897 0 C-N-CA 124.368 -1.096 . . . . 0.0 112.028 0.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.769 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.772 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.5 Cg_exo -64.71 -25.63 5.02 Favored 'Cis proline' 0 N--CA 1.503 2.07 0 C-N-CA 124.661 -0.975 . . . . 0.0 112.406 0.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.772 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.775 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 6.9 Cg_exo -69.51 -14.31 12.02 Favored 'Cis proline' 0 N--CA 1.499 1.828 0 C-N-CA 124.195 -1.169 . . . . 0.0 111.955 0.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.775 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.768 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.5 Cg_endo -69.66 -17.5 11.81 Favored 'Cis proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.984 -1.257 . . . . 0.0 111.86 1.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.768 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.786 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.02 0.81 13.47 Favored 'Cis proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.575 -1.427 . . . . 0.0 111.831 1.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.786 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.774 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 12.1 Cg_exo -67.12 -20.33 8.27 Favored 'Cis proline' 0 N--CA 1.501 1.961 0 C-N-CA 124.441 -1.066 . . . . 0.0 112.077 0.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.774 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.776 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.427 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 10.3 Cg_exo -67.88 -17.13 9.6 Favored 'Cis proline' 0 N--CA 1.501 1.916 0 C-N-CA 124.39 -1.087 . . . . 0.0 112.306 0.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.776 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.641 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.781 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.4 -7.89 11.37 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.278 -1.134 . . . . 0.0 112.441 1.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.781 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.774 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 11.6 Cg_exo -67.34 -19.55 8.66 Favored 'Cis proline' 0 N--CA 1.5 1.878 0 C-N-CA 124.356 -1.102 . . . . 0.0 112.149 0.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.774 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.772 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.1 Cg_exo -68.41 -16.65 10.28 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.043 0.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.772 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.779 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.408 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.7 Cg_endo -70.61 -13.48 14.01 Favored 'Cis proline' 0 N--CA 1.496 1.66 0 C-N-CA 123.908 -1.288 . . . . 0.0 111.958 1.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.779 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.773 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 14.5 Cg_exo -65.82 -23.51 6.39 Favored 'Cis proline' 0 N--CA 1.503 2.075 0 C-N-CA 124.493 -1.044 . . . . 0.0 112.323 0.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.773 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' HZ2' ' HB2' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' DBB . . . . . 0.766 ' CG ' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.444 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 38.4 Cg_endo -69.22 -19.75 10.46 Favored 'Cis proline' 0 N--CA 1.499 1.807 0 C-N-CA 123.928 -1.28 . . . . 0.0 111.764 1.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.766 ' H ' ' CG ' ' A' ' 1' ' ' DBB . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.603 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.505 2.175 0 N-CA-C 112.93 0.319 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' GLY . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo . . . . . 0 N--CA 1.502 2.009 0 CA-C-O 121.062 0.359 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.605 ' O ' ' C ' ' A' ' 5' ' ' LYS . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.5 1.897 0 CA-C-O 121.129 0.387 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.503 2.07 0 CA-C-O 120.984 0.327 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' C ' ' A' ' 5' ' ' LYS . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo . . . . . 0 N--CA 1.499 1.828 0 CA-C-O 121.113 0.38 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.559 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.498 1.762 0 CA-C-O 121.221 0.425 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.566 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.49 1.268 0 CA-C-O 121.127 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.592 ' O ' ' O ' ' A' ' 5' ' ' LYS . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo . . . . . 0 N--CA 1.501 1.961 0 CA-C-O 121.101 0.376 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.568 ' C ' ' O ' ' A' ' 3' ' ' GLY . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.501 1.916 0 CA-C-O 121.112 0.38 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.71 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 120.881 0.284 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.565 ' C ' ' O ' ' A' ' 3' ' ' GLY . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.5 1.878 0 CA-C-O 121.121 0.384 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.567 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 121.151 0.396 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.563 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 121.183 0.41 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.558 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.503 2.075 0 CA-C-O 121.08 0.367 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.581 ' O ' ' O ' ' A' ' 3' ' ' GLY . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 N--CA 1.499 1.807 0 CA-C-O 121.189 0.412 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.569 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.673 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.106 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.7 Cg_exo -63.63 -27.95 3.65 Favored 'Cis proline' 0 N--CA 1.505 2.175 0 C-N-CA 124.724 -0.948 . . . . 0.0 112.93 1.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.106 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.084 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 15.6 Cg_exo -65.18 -26.34 5.08 Favored 'Cis proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.385 -1.09 . . . . 0.0 112.094 0.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.084 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.02 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.4 Cg_exo -68.26 -17.02 10.07 Favored 'Cis proline' 0 N--CA 1.5 1.897 0 C-N-CA 124.368 -1.096 . . . . 0.0 112.028 0.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.02 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.061 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.5 Cg_exo -64.71 -25.63 5.02 Favored 'Cis proline' 0 N--CA 1.503 2.07 0 C-N-CA 124.661 -0.975 . . . . 0.0 112.406 0.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.061 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.032 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 6.9 Cg_exo -69.51 -14.31 12.02 Favored 'Cis proline' 0 N--CA 1.499 1.828 0 C-N-CA 124.195 -1.169 . . . . 0.0 111.955 0.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.032 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.5 Cg_endo -69.66 -17.5 11.81 Favored 'Cis proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.984 -1.257 . . . . 0.0 111.86 1.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.015 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.02 0.81 13.47 Favored 'Cis proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.575 -1.427 . . . . 0.0 111.831 1.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.015 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 12.1 Cg_exo -67.12 -20.33 8.27 Favored 'Cis proline' 0 N--CA 1.501 1.961 0 C-N-CA 124.441 -1.066 . . . . 0.0 112.077 0.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.049 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 10.3 Cg_exo -67.88 -17.13 9.6 Favored 'Cis proline' 0 N--CA 1.501 1.916 0 C-N-CA 124.39 -1.087 . . . . 0.0 112.306 0.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.049 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.71 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.047 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.4 -7.89 11.37 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.278 -1.134 . . . . 0.0 112.441 1.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.047 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 11.6 Cg_exo -67.34 -19.55 8.66 Favored 'Cis proline' 0 N--CA 1.5 1.878 0 C-N-CA 124.356 -1.102 . . . . 0.0 112.149 0.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.021 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.1 Cg_exo -68.41 -16.65 10.28 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.043 0.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.021 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.057 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.7 Cg_endo -70.61 -13.48 14.01 Favored 'Cis proline' 0 N--CA 1.496 1.66 0 C-N-CA 123.908 -1.288 . . . . 0.0 111.958 1.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.057 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.075 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 14.5 Cg_exo -65.82 -23.51 6.39 Favored 'Cis proline' 0 N--CA 1.503 2.075 0 C-N-CA 124.493 -1.044 . . . . 0.0 112.323 0.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.075 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.816 ' HZ3' ' H1 ' ' A' ' 1' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' DBB . . . . . 1.073 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 38.4 Cg_endo -69.22 -19.75 10.46 Favored 'Cis proline' 0 N--CA 1.499 1.807 0 C-N-CA 123.928 -1.28 . . . . 0.0 111.764 1.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 1.073 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.673 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 N--CA 1.505 2.175 0 N-CA-C 112.93 0.319 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.571 ' O ' ' O ' ' A' ' 3' ' ' GLY . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo . . . . . 0 N--CA 1.502 2.009 0 CA-C-O 121.062 0.359 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.605 ' O ' ' C ' ' A' ' 5' ' ' LYS . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo . . . . . 0 N--CA 1.5 1.897 0 CA-C-O 121.129 0.387 . . . . 0.0 112.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.503 2.07 0 CA-C-O 120.984 0.327 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' O ' ' C ' ' A' ' 5' ' ' LYS . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo . . . . . 0 N--CA 1.499 1.828 0 CA-C-O 121.113 0.38 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.559 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 N--CA 1.498 1.762 0 CA-C-O 121.221 0.425 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.566 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo . . . . . 0 N--CA 1.49 1.268 0 CA-C-O 121.127 0.386 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.592 ' O ' ' O ' ' A' ' 5' ' ' LYS . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo . . . . . 0 N--CA 1.501 1.961 0 CA-C-O 121.101 0.376 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.568 ' C ' ' O ' ' A' ' 3' ' ' GLY . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo . . . . . 0 N--CA 1.501 1.916 0 CA-C-O 121.112 0.38 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.562 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.71 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 120.881 0.284 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.565 ' C ' ' O ' ' A' ' 3' ' ' GLY . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.5 1.878 0 CA-C-O 121.121 0.384 . . . . 0.0 112.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.567 ' C ' ' O ' ' A' ' 3' ' ' GLY . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo . . . . . 0 N--CA 1.499 1.811 0 CA-C-O 121.151 0.396 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.563 ' C ' ' O ' ' A' ' 3' ' ' GLY . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 121.183 0.41 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.558 ' C ' ' O ' ' A' ' 3' ' ' GLY . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo . . . . . 0 N--CA 1.503 2.075 0 CA-C-O 121.08 0.367 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.581 ' O ' ' O ' ' A' ' 3' ' ' GLY . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo . . . . . 0 N--CA 1.499 1.807 0 CA-C-O 121.189 0.412 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.569 ' C ' ' O ' ' A' ' 3' ' ' GLY . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.673 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.106 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.7 Cg_exo -63.63 -27.95 3.65 Favored 'Cis proline' 0 N--CA 1.505 2.175 0 C-N-CA 124.724 -0.948 . . . . 0.0 112.93 1.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.571 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.32 -42.38 33.07 Favored Glycine 0 CA--C 1.519 0.323 0 N-CA-C 110.057 -1.217 . . . . 0.0 110.057 178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.106 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.7 m -19.27 -104.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.863 -0.669 . . . . 0.0 111.41 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.768 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.084 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 15.6 Cg_exo -65.18 -26.34 5.08 Favored 'Cis proline' 0 N--CA 1.502 2.009 0 C-N-CA 124.385 -1.09 . . . . 0.0 112.094 0.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.595 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -49.3 -42.49 33.13 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 178.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.084 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 21.8 m -18.95 -104.72 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.959 -0.62 . . . . 0.0 111.031 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' C ' ' O ' ' A' ' 4' ' ' CYS . 11.1 mttm . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.091 -0.957 . . . . 0.0 111.679 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.02 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.4 Cg_exo -68.26 -17.02 10.07 Favored 'Cis proline' 0 N--CA 1.5 1.897 0 C-N-CA 124.368 -1.096 . . . . 0.0 112.028 0.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.04 -38.7 94.67 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 109.681 -1.368 . . . . 0.0 109.681 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.02 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 13.8 m -17.65 -97.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.693 -0.754 . . . . 0.0 111.061 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.587 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.061 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 16.5 Cg_exo -64.71 -25.63 5.02 Favored 'Cis proline' 0 N--CA 1.503 2.07 0 C-N-CA 124.661 -0.975 . . . . 0.0 112.406 0.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.579 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -51.53 -41.99 50.31 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 109.943 -1.263 . . . . 0.0 109.943 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.061 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.2 m -18.17 -103.4 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 114.966 -0.617 . . . . 0.0 110.964 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' C ' ' O ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.026 -0.987 . . . . 0.0 111.741 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.032 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 6.9 Cg_exo -69.51 -14.31 12.02 Favored 'Cis proline' 0 N--CA 1.499 1.828 0 C-N-CA 124.195 -1.169 . . . . 0.0 111.955 0.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.559 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -61.69 -38.38 95.8 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.032 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 15.1 m -18.19 -94.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.487 -0.856 . . . . 0.0 111.012 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.629 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.5 Cg_endo -69.66 -17.5 11.81 Favored 'Cis proline' 0 N--CA 1.498 1.762 0 C-N-CA 123.984 -1.257 . . . . 0.0 111.86 1.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.566 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.87 -39.21 91.28 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.2 m -18.47 -98.03 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 114.63 -0.785 . . . . 0.0 110.798 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.55 ' OXT' ' O ' ' A' ' 4' ' ' CYS . 12.4 mmtt . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.596 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.015 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -74.02 0.81 13.47 Favored 'Cis proline' 0 C--N 1.307 -1.636 0 C-N-CA 123.575 -1.427 . . . . 0.0 111.831 1.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.551 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -77.01 -34.79 40.9 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 108.442 -1.863 . . . . 0.0 108.442 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.015 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 14.4 m -18.69 -55.37 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.8 -1.2 . . . . 0.0 111.685 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' O ' ' O ' ' A' ' 4' ' ' CYS . 1.7 mtmm . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.692 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.46 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 12.1 Cg_exo -67.12 -20.33 8.27 Favored 'Cis proline' 0 N--CA 1.501 1.961 0 C-N-CA 124.441 -1.066 . . . . 0.0 112.077 0.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.568 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -56.16 -40.15 82.88 Favored Glycine 0 N--CA 1.45 -0.429 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 17.0 m -18.14 -101.33 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 114.76 -0.72 . . . . 0.0 110.892 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.94 -1.029 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.049 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 10.3 Cg_exo -67.88 -17.13 9.6 Favored 'Cis proline' 0 N--CA 1.501 1.916 0 C-N-CA 124.39 -1.087 . . . . 0.0 112.306 0.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.562 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -59.65 -39.22 94.87 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.049 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.3 m -18.13 -96.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.643 -0.779 . . . . 0.0 111.012 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.71 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.54 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.047 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.4 -7.89 11.37 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.278 -1.134 . . . . 0.0 112.441 1.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.565 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -69.54 -36.89 77.52 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 108.981 -1.648 . . . . 0.0 108.981 178.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.047 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 12.5 m -17.66 -79.03 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.173 -1.014 . . . . 0.0 111.25 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.42 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.046 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 11.6 Cg_exo -67.34 -19.55 8.66 Favored 'Cis proline' 0 N--CA 1.5 1.878 0 C-N-CA 124.356 -1.102 . . . . 0.0 112.149 0.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.567 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -57.0 -39.93 90.37 Favored Glycine 0 N--CA 1.449 -0.434 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.046 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 16.7 m -18.07 -100.7 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.784 -0.708 . . . . 0.0 110.938 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.54 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.021 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 9.1 Cg_exo -68.41 -16.65 10.28 Favored 'Cis proline' 0 N--CA 1.499 1.811 0 C-N-CA 124.362 -1.099 . . . . 0.0 112.043 0.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -60.34 -38.55 94.85 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 178.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.021 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 13.8 m -17.67 -97.66 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.617 -0.792 . . . . 0.0 111.021 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.398 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.6 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.057 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 36.7 Cg_endo -70.61 -13.48 14.01 Favored 'Cis proline' 0 N--CA 1.496 1.66 0 C-N-CA 123.908 -1.288 . . . . 0.0 111.958 1.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -62.2 -37.91 95.3 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 178.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.057 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 15.4 m -18.46 -92.52 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.556 -0.822 . . . . 0.0 111.107 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 1.7 mmtp . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.972 -1.014 . . . . 0.0 110.556 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.075 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 14.5 Cg_exo -65.82 -23.51 6.39 Favored 'Cis proline' 0 N--CA 1.503 2.075 0 C-N-CA 124.493 -1.044 . . . . 0.0 112.323 0.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.581 ' O ' ' O ' ' A' ' 4' ' ' CYS . . . -52.42 -42.02 56.35 Favored Glycine 0 N--CA 1.448 -0.548 0 N-CA-C 109.694 -1.362 . . . . 0.0 109.694 178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.075 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 20.6 m -18.46 -104.05 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 114.891 -0.654 . . . . 0.0 110.938 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.816 ' HZ3' ' H1 ' ' A' ' 1' ' ' DBB . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.625 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' DBB . . . . . 1.073 ' HG3' ' H ' ' A' ' 4' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' C ' ' HA ' ' A' ' 1' ' ' DBB . 38.4 Cg_endo -69.22 -19.75 10.46 Favored 'Cis proline' 0 N--CA 1.499 1.807 0 C-N-CA 123.928 -1.28 . . . . 0.0 111.764 1.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.569 ' O ' ' C ' ' A' ' 4' ' ' CYS . . . -54.33 -40.92 69.91 Favored Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 1.073 ' H ' ' HG3' ' A' ' 1' ' ' DBB . 19.5 m -18.76 -101.93 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 114.745 -0.727 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.673 ' H ' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.606 179.916 . . . . . . . . 2 2 . 1 stop_ save_