data_7gat_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 7gat _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.268 0.556 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' CYS . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.513 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.583 ' C ' ' H ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.666 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.642 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HZ1' ' HG1' ' A' ' 17' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.725 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.725 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.709 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.709 ' H ' ' HG1' ' A' ' 53' ' ' THR . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.717 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.717 ' H ' HD21 ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.403 ' H ' ' HG1' ' A' ' 20' ' ' THR . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.436 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.349 0.595 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.574 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.682 ' HG1' HD21 ' A' ' 34' ' ' ASN . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' N ' ' HG1' ' A' ' 20' ' ' THR . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.696 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.2 t30 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 25.9 m-80 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' LEU . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.073 0.463 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.737 ' HG1' ' NZ ' ' A' ' 52' ' ' LYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.55 ' HG1' ' ND2' ' A' ' 34' ' ' ASN . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.691 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.4 t30 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.691 ' H ' HD21 ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.715 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.681 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.737 ' NZ ' ' HG1' ' A' ' 17' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.721 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.721 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 38.9 m-80 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 56' ' ' ILE . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.5 m120 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.511 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.61 ' HG1' ' ND2' ' A' ' 34' ' ' ASN . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.726 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.726 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.5 2.039 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.595 HH11 ' CG ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.724 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.691 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.446 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.187 0.518 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.559 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.559 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.415 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.527 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.527 ' H ' ' HG1' ' A' ' 53' ' ' THR . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 . . . . . 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.464 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.553 ' HG1' ' H ' ' A' ' 22' ' ' VAL . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.553 ' H ' ' HG1' ' A' ' 20' ' ' THR . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.722 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.6 t30 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.722 ' H ' HD21 ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.35 0.595 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.499 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.71 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.71 ' H ' ' HG1' ' A' ' 53' ' ' THR . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 56' ' ' ILE . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.264 0.554 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.549 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.504 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.2 t30 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.636 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HH11 ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.719 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.719 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PHE . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' CYS . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.572 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.454 ' HG1' HD21 ' A' ' 34' ' ' ASN . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.722 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' HG2' HH11 ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.722 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 21.6 m-80 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' PRO . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 51' ' ' LEU . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 49' ' ' LEU . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.572 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.506 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.498 ' OG1' ' ND2' ' A' ' 34' ' ' ASN . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.709 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 27.4 m-80 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.565 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.565 ' H ' ' HG1' ' A' ' 53' ' ' THR . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.4 t30 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 26.8 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.601 HD22 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.415 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 . . . . . 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.544 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.651 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.598 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.4 t30 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.651 ' H ' ' HG1' ' A' ' 20' ' ' THR . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.493 ' HG2' HH11 ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 121.346 0.594 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.543 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.674 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG1' HD22 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.674 ' H ' ' HG1' ' A' ' 20' ' ' THR . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' PRO . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 51' ' ' LEU . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 49' ' ' LEU . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.41 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 56' ' ' ILE . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 . . . . . 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.242 0.544 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.795 HD21 ' H ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.795 ' H ' HD21 ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.496 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.496 ' H ' ' HG1' ' A' ' 53' ' ' THR . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.559 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.559 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.606 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' H ' ' C ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.527 ' CE ' ' HG1' ' A' ' 17' ' ' THR . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.254 0.55 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.507 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.482 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 51' ' ' LEU . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.497 0.665 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.65 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.65 ' H ' ' HG1' ' A' ' 20' ' ' THR . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.074 0.464 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.613 ' CG1' HD22 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' HH11 ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.1 t30 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.613 HD22 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.359 0.6 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' CYS . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.549 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.546 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.546 ' H ' ' HG1' ' A' ' 20' ' ' THR . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 48' ' ' PRO . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.567 ' N ' ' HG1' ' A' ' 53' ' ' THR . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.713 ' H ' ' HG1' ' A' ' 53' ' ' THR . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.528 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.528 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.687 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HG2' HH11 ' A' ' 47' ' ' ARG . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.715 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' H ' ' HG1' ' A' ' 53' ' ' THR . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 121.26 0.553 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' PHE . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' THR . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.704 ' HG1' ' HZ3' ' A' ' 52' ' ' LYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.44 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.57 ' C ' ' H ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.713 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.71 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HZ3' ' HG1' ' A' ' 17' ' ' THR . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 121.115 0.483 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.758 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.3 t30 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.758 ' H ' HD21 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.705 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' LEU . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' LEU . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 58' ' ' LYS . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.371 0.605 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.564 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.564 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.708 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.708 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.592 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.631 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.631 ' H ' ' HG1' ' A' ' 20' ' ' THR . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 51' ' ' LEU . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 49' ' ' LEU . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.665 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.665 ' N ' ' HG1' ' A' ' 53' ' ' THR . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.508 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.473 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.587 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' A' ' 30' ' ' GLN . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' NE2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.696 HD21 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 41.3 m80 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 56' ' ' ILE . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.406 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.629 3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.788 4.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.449 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O4'-C1'-N19 110.823 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.419 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.241 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.449 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 C3'-C2'-C1' 106.922 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.938 3.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.57 3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.41 -40.3 90.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.925 -1.109 . . . . 0.0 110.082 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -85.21 145.7 27.45 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.964 -1.085 . . . . 0.0 109.676 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.26 -24.17 64.14 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' HG2' ' H ' ' A' ' 7' ' ' ASN . 83.2 tt0 -143.7 147.59 34.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.306 . . . . 0.0 108.567 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.472 ' O ' ' O ' ' A' ' 7' ' ' ASN . 95.7 mm-40 -71.91 -21.36 61.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.93 -1.106 . . . . 0.0 110.424 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.472 ' O ' ' O ' ' A' ' 6' ' ' GLN . 23.2 t-20 -45.09 174.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.164 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 164.56 168.31 26.47 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.1 -6.35 13.96 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.26 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 83.3 m -59.98 119.95 8.73 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.586 0.708 . . . . 0.0 110.594 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m -139.14 137.75 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.625 -0.672 . . . . 0.0 109.806 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' CYS . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.513 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.583 ' C ' ' H ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' H ' ' C ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.666 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.642 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' HZ1' ' HG1' ' A' ' 17' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.489 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -76.71 -173.6 2.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -139.98 133.59 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.675 -0.641 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -157.65 132.53 8.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 109.564 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -60.25 139.98 57.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.322 -0.861 . . . . 0.0 109.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.01 88.03 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -155.6 160.89 40.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.478 -0.764 . . . . 0.0 109.288 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.522 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.408 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.35 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.422 ' O4 ' ' N4 ' ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.542 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.854 5.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.251 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.548 " O5'" ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.865 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.526 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.542 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.422 ' N4 ' ' O4 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LYS . 24.3 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 50.3 mtmt 53.07 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' LYS . 13.3 p30 41.11 -160.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.644 . . . . 0.0 110.624 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 146.5 50.38 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASN . 13.4 pt-20 -165.26 -130.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -1.151 . . . . 0.0 109.325 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' GLU . 90.4 mt-30 29.49 -90.9 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.233 0.54 . . . . 0.0 111.45 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLU . 44.3 t30 68.53 -44.67 0.52 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.751 -0.593 . . . . 0.0 109.746 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 6' ' ' GLN . . . -175.42 105.34 0.2 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.091 -2.004 . . . . 0.0 108.091 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.68 95.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.772 1.648 . . . . 0.0 112.965 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -57.44 121.78 11.05 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.369 0.604 . . . . 0.0 109.462 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -129.57 135.8 49.03 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.455 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.725 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.725 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.709 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.709 ' H ' ' HG1' ' A' ' 53' ' ' THR . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -77.79 -168.9 1.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -146.0 149.24 33.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.04 146.8 26.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.0 109.819 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -132.43 130.67 40.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.21 161.03 21.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.114 -0.992 . . . . 0.0 109.734 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -84.49 167.44 16.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.772 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.695 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.554 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.125 2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.077 0 C3'-C2'-C1' 106.993 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C1'-N19 110.375 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.736 3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.563 4.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.578 4.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.639 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.573 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.18 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 1 O4'-C1'-N19 111.286 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.537 " O3'" ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.541 3.789 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.67 -39.41 94.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.546 -0.721 . . . . 0.0 109.435 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -93.97 140.18 30.02 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.251 -0.905 . . . . 0.0 110.388 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.72 -163.38 53.52 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -155.46 164.45 38.68 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 57.35 58.82 3.64 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.793 -1.192 . . . . 0.0 109.018 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -60.41 -40.96 92.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.594 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.23 -179.86 36.22 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.95 113.09 0.6 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.462 2.775 . . . . 0.0 113.079 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 m -53.05 111.97 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -135.12 129.04 33.27 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.563 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.717 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.717 ' H ' HD21 ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.411 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.52 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.52 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.436 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.09 -172.92 2.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -144.22 168.65 19.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.444 -0.785 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.537 ' ND2' " O3'" ' C' ' 122' ' ' ' DC' . 95.3 m-20 -76.66 148.09 37.09 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.426 ' OG ' ' OD1' ' A' ' 65' ' ' ASN . 93.5 p -68.04 151.14 47.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.092 -1.005 . . . . 0.0 109.366 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.69 96.43 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.428 -0.795 . . . . 0.0 108.923 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' OD1' ' OG ' ' A' ' 63' ' ' SER . 14.0 m120 48.92 -105.47 0.16 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.58 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.822 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.497 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 C3'-C2'-C1' 106.968 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.384 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.909 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.659 4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.958 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.976 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.019 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.531 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' H1 ' ' H ' ' A' ' 2' ' ' LYS . 2.8 mpt? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.456 ' H ' ' H1 ' ' A' ' 1' ' ' MET . 27.4 tptp -133.79 -86.14 0.43 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m120 51.89 40.7 28.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.169 -0.957 . . . . 0.0 110.007 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . -59.81 -39.89 95.98 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.38 164.71 14.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -1.193 . . . . 0.0 110.504 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 51.96 50.06 19.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 4' ' ' GLY . 13.1 m120 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.522 -0.737 . . . . 0.0 109.544 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.82 170.2 23.23 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -36.55 122.24 0.31 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.911 2.407 . . . . 0.0 113.172 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -59.22 119.28 7.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.0 109.23 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -134.9 138.24 43.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.696 -0.628 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.574 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.574 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.682 ' HG1' HD21 ' A' ' 34' ' ' ASN . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' N ' ' HG1' ' A' ' 20' ' ' THR . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.696 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.2 t30 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.696 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 25.9 m-80 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' LEU . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -73.22 176.68 5.69 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.513 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.4 mtt-85 -142.5 153.57 43.75 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.95 132.12 34.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 108.826 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 t -65.18 -46.74 79.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 109.869 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.62 -60.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.45 -0.782 . . . . 0.0 109.67 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.13 140.81 55.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.48 -0.762 . . . . 0.0 109.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.993 -1.067 . . . . 0.0 109.545 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.685 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.791 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.513 ' P ' ' HZ1' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 112.191 5.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.839 1 O4'-C1'-N19 111.284 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.081 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.733 1 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-N19 110.404 3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.785 4.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.543 4.054 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.196 2.996 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' O ' ' A' ' 1' ' ' MET . 6.9 tmm? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -73.95 148.48 42.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.046 -1.033 . . . . 0.0 108.821 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 50.53 49.62 20.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.953 -1.092 . . . . 0.0 109.364 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.45 162.86 23.91 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.15 142.9 43.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -1.183 . . . . 0.0 109.739 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.8 -42.06 92.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.783 . . . . 0.0 109.509 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.531 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 33.8 p-10 -173.09 -65.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.631 -1.293 . . . . 0.0 109.655 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.531 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . -141.11 171.2 24.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -37.01 143.6 0.13 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.826 2.351 . . . . 0.0 112.251 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.6 m -57.01 118.23 4.78 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.311 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -132.27 139.27 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.482 -0.762 . . . . 0.0 109.776 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.551 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.737 ' HG1' ' NZ ' ' A' ' 52' ' ' LYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.55 ' HG1' ' ND2' ' A' ' 34' ' ' ASN . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.691 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.4 t30 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.691 ' H ' HD21 ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.715 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.681 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' HZ1' ' P ' ' B' ' 105' ' ' ' DG' . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.737 ' NZ ' ' HG1' ' A' ' 17' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -74.88 178.1 5.79 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -149.55 164.51 34.9 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -82.59 143.41 31.04 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.843 -1.161 . . . . 0.0 109.465 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -67.41 128.64 37.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.107 -0.995 . . . . 0.0 109.26 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.97 -57.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 108.709 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.54 -43.74 96.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.734 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.881 -179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.494 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.605 4.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.728 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.541 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 O4'-C1'-N19 111.067 4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.516 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -149.98 152.28 34.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.278 -0.889 . . . . 0.0 109.283 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -159.4 159.08 33.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.899 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.74 -60.67 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.556 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 3.7 pm0 -85.65 26.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.189 -1.183 . . . . 0.0 109.926 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -50.34 130.07 22.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.178 -0.951 . . . . 0.0 108.523 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -121.8 44.63 2.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 110.246 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.24 59.44 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.56 116.63 4.75 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.505 2.136 . . . . 0.0 112.24 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 m -59.92 119.93 8.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.623 -0.673 . . . . 0.0 110.095 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -131.16 140.0 49.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 109.282 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.721 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.721 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 38.9 m-80 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.422 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.532 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -69.36 164.57 22.63 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 61' ' ' ARG . 54.8 mtm-85 -148.05 158.56 44.13 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.561 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -86.97 144.15 27.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -90.93 156.51 17.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.213 -0.93 . . . . 0.0 109.741 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.42 -69.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 45.82 -118.48 0.76 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.797 . . . . 0.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.258 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 1 O4'-C1'-N19 111.489 4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.237 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.58 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.786 3.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.279 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.434 ' P ' ' HE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -95.96 114.33 26.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.198 -0.939 . . . . 0.0 109.382 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.6 76.68 1.31 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.214 -0.929 . . . . 0.0 108.793 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -69.43 78.19 0.34 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 4' ' ' GLY . 83.8 tt0 56.71 153.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.763 -0.845 . . . . 0.0 109.968 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -149.54 154.87 39.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.035 -1.041 . . . . 0.0 108.527 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -155.92 153.06 29.04 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.774 -1.203 . . . . 0.0 110.205 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.04 -69.19 0.05 OUTLIER Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.17 54.14 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.858 2.372 . . . . 0.0 111.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.1 m -55.34 116.14 2.67 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.396 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m -134.47 142.56 47.11 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.568 -0.708 . . . . 0.0 109.233 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.425 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.515 HD22 ' P ' ' C' ' 120' ' ' ' DA' . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.427 HD11 HG22 ' A' ' 56' ' ' ILE . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -74.57 174.39 9.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HE ' ' P ' ' C' ' 122' ' ' ' DC' . 35.5 mtp180 -138.37 131.27 29.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.729 -0.607 . . . . 0.0 109.582 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -89.89 111.57 22.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 108.957 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.2 m -140.02 157.55 45.48 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.42 63.89 2.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.007 . . . . 0.0 109.813 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.546 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.511 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.714 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.287 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.044 4.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.964 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.554 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.54 4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -67.86 140.39 56.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.197 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 41.2 p-10 -69.75 -19.89 63.52 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.002 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 88.16 -54.04 4.22 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -89.98 75.42 7.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 108.79 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.08 -39.88 90.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.687 . . . . 0.0 109.837 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.461 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 33.5 t-20 51.35 -164.42 0.06 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 153.2 161.19 10.16 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.61 6.28 2.86 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.132 . . . . 0.0 111.832 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.3 m -60.24 120.01 9.0 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.424 0.63 . . . . 0.0 110.341 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -136.51 146.1 45.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.621 -0.674 . . . . 0.0 109.916 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.511 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.61 ' HG1' ' ND2' ' A' ' 34' ' ' ASN . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.726 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.726 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -81.66 -162.36 0.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.52 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.3 mtt-85 -139.93 159.77 41.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -146.75 86.78 1.67 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.817 -1.177 . . . . 0.0 110.566 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t -74.27 -29.19 61.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.19 -12.59 57.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.307 -0.871 . . . . 0.0 110.347 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -62.32 134.58 56.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.004 -1.06 . . . . 0.0 110.053 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.352 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.499 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.599 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.113 1 O4'-C1'-N19 111.834 5.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.235 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.913 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.402 ' OP2' ' OD1' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.221 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.767 4.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt 50.44 -177.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.422 -0.799 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLY . 69.9 m-80 -126.11 133.66 51.57 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.464 -0.772 . . . . 0.0 110.215 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' ASN . . . -59.37 -108.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -148.89 -39.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -1.161 . . . . 0.0 109.109 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -123.06 148.43 45.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.704 -0.623 . . . . 0.0 109.328 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.39 127.72 34.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.83 . . . . 0.0 110.083 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.34 106.98 0.23 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.22 55.45 5.1 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.093 1.862 . . . . 0.0 112.902 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -83.14 150.2 26.4 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.39 -0.818 . . . . 0.0 108.897 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -131.89 133.74 44.93 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.021 -1.05 . . . . 0.0 109.557 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.595 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.724 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.691 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -68.09 161.22 27.34 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -147.31 178.44 8.41 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -76.63 151.16 36.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.102 . . . . 0.0 109.459 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.9 p -61.68 -45.8 92.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.833 . . . . 0.0 109.884 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.01 160.02 8.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.707 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 66' ' ' SER . 18.8 p30 -60.26 -40.05 88.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.973 . . . . 0.0 109.321 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 6.4 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.305 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.627 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.005 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 1 O4'-C1'-N19 111.79 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.918 1 O4'-C1'-N19 111.259 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.964 3.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.374 0.606 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -63.26 141.4 58.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -79.54 162.81 25.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 110.146 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.64 153.93 0.27 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.32 155.62 46.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.647 -0.914 . . . . 0.0 108.566 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -145.51 160.27 41.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.844 -1.16 . . . . 0.0 109.008 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -152.0 162.18 41.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.2 9.7 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.24 109.91 2.19 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.348 2.032 . . . . 0.0 112.816 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -62.63 119.29 8.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.52 -0.737 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m -131.54 141.19 49.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.682 -0.636 . . . . 0.0 109.779 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.559 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.559 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.415 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.497 ' H ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.527 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.527 ' H ' ' HG1' ' A' ' 53' ' ' THR . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.433 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -73.01 -172.73 1.1 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 33.1 mtm-85 -145.96 153.9 41.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.651 -0.655 . . . . 0.0 109.275 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -151.63 85.01 1.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.24 -0.912 . . . . 0.0 109.47 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.949 . . . . 0.0 108.948 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -171.39 -57.76 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -147.65 140.36 24.75 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.232 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.68 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.324 3.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 1 O4'-C1'-N19 111.33 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.685 4.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.722 3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.299 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.994 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.245 0.545 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.26 41.8 30.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.321 -0.862 . . . . 0.0 108.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.98 -43.08 95.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.992 . . . . 0.0 108.596 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.7 -51.62 1.34 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -108.45 -116.74 0.28 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.342 -1.093 . . . . 0.0 109.409 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -142.11 144.86 33.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.051 . . . . 0.0 109.413 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.46 107.25 19.41 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 -175.5 18.26 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.37 165.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.924 2.416 . . . . 0.0 112.972 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.0 m -47.05 134.35 10.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.545 0.688 . . . . 0.0 110.272 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -128.8 142.21 51.06 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.464 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.553 ' HG1' ' H ' ' A' ' 22' ' ' VAL . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.553 ' H ' ' HG1' ' A' ' 20' ' ' THR . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.722 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.6 t30 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.722 ' H ' HD21 ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.12 -179.12 3.66 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -146.79 157.7 43.73 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.82 156.1 21.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 0.0 109.846 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.52 130.06 42.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.81 67.14 0.96 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.467 -0.77 . . . . 0.0 109.211 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -135.92 7.73 3.22 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.439 ' OG ' ' OXT' ' A' ' 66' ' ' SER . 14.7 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.53 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.37 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 112.086 5.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.639 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.05 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.511 4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.495 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.416 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.447 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 tpp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -70.28 140.09 52.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.931 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' GLU . 54.4 t-20 -114.43 29.63 7.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 -76.18 0.03 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASN . 88.4 tt0 -136.2 147.85 47.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.371 -1.076 . . . . 0.0 108.769 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -139.93 161.72 36.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.172 -0.955 . . . . 0.0 110.137 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.0 t30 60.86 167.02 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.6 -178.05 34.24 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.25 123.16 7.01 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.714 2.276 . . . . 0.0 112.0 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 m -83.1 147.47 28.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.039 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m -133.0 136.31 45.97 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.15 -0.969 . . . . 0.0 109.599 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.499 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.499 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.495 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.71 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.71 ' H ' ' HG1' ' A' ' 53' ' ' THR . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 56' ' ' ILE . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -82.59 -163.46 0.7 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.408 ' HG2' HH11 ' A' ' 61' ' ' ARG . 20.5 mtt-85 -145.0 149.77 35.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -156.52 115.84 3.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.208 -0.932 . . . . 0.0 109.375 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.4 m -98.05 -128.24 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.368 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 49.98 -148.45 0.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -105.8 116.85 32.65 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.344 -0.848 . . . . 0.0 109.279 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.612 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.738 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.358 0 C3'-C2'-C1' 107.077 3.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.426 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.724 4.904 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.022 4.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.326 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . 0.404 ' H8 ' " O5'" ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.291 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.497 ' OP1' ' NE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.274 0 C3'-C2'-C1' 107.059 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.392 4.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -100.04 125.34 46.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.419 -0.801 . . . . 0.0 109.782 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -103.09 5.48 38.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.323 -0.861 . . . . 0.0 109.29 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -76.02 0.43 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.11 118.48 32.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.534 -0.98 . . . . 0.0 108.672 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -81.85 129.28 34.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.192 -0.943 . . . . 0.0 109.528 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.59 158.97 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.475 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -118.83 175.43 15.71 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 8' ' ' GLY . 87.0 Cg_exo -47.53 -162.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.985 2.457 . . . . 0.0 113.143 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -47.32 132.25 13.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.454 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m -133.26 139.38 46.91 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 0.0 109.614 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.549 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.504 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.2 t30 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.707 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.636 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.455 ' C ' ' H ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.407 ' HG3' HH11 ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -85.63 -156.23 0.27 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NE ' ' OP1' ' C' ' 122' ' ' ' DC' . 5.9 mtp180 -137.61 101.7 4.55 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -97.21 -3.12 41.44 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.038 -1.039 . . . . 0.0 110.152 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -90.43 3.9 52.52 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.39 140.07 51.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -107.13 124.74 50.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 0.0 109.48 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.327 179.776 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.543 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.947 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.628 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.23 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.406 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.579 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 C3'-C2'-C1' 106.828 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 1' ' ' MET . 10.0 tmm? . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.03 144.92 56.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.946 -1.096 . . . . 0.0 109.993 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 5' ' ' GLU . 98.0 m-20 52.66 -119.7 1.55 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.669 -0.644 . . . . 0.0 109.618 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.03 -91.12 0.01 OUTLIER Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' ASN . 34.3 tp10 58.81 161.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.537 -0.978 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 60.05 41.54 17.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.408 -0.807 . . . . 0.0 109.543 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.9 t-20 -60.43 -40.35 90.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.046 -1.034 . . . . 0.0 110.791 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -174.66 -59.67 0.05 OUTLIER Glycine 0 N--CA 1.491 2.36 0 C-N-CA 118.834 -1.65 . . . . 0.0 111.632 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -34.51 80.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.928 2.418 . . . . 0.0 113.427 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 8' ' ' GLY . 81.8 m -56.43 124.65 18.85 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.742 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -130.7 137.97 49.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.73 -0.606 . . . . 0.0 109.381 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.719 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.719 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.18 161.42 27.09 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 61' ' ' ARG . 43.0 mtm-85 -147.56 163.8 35.43 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.273 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -84.59 114.39 21.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.365 -0.835 . . . . 0.0 109.808 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.1 m -60.41 -44.08 96.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.498 -0.751 . . . . 0.0 109.448 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.06 169.79 7.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.943 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -103.18 128.54 50.11 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.468 -0.77 . . . . 0.0 109.139 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.083 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.447 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.577 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.778 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.993 5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.941 5.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.79 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.864 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.494 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.413 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.573 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.27 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.232 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 O4'-C1'-N19 110.237 3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.33 0.586 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.468 ' HZ1' ' CB ' ' A' ' 2' ' ' LYS . 9.7 mtmp? -89.34 87.61 7.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.204 -0.935 . . . . 0.0 108.816 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -93.75 -5.58 48.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.839 . . . . 0.0 109.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.82 49.35 5.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.49 81.45 8.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -1.082 . . . . 0.0 109.042 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -148.19 -89.8 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -136.48 143.75 43.98 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.38 129.53 22.89 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.69 -105.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.073 1.849 . . . . 0.0 112.177 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.0 m -50.08 132.64 23.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.58 -0.7 . . . . 0.0 109.852 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m -129.91 135.52 48.44 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' PHE . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 12' ' ' CYS . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.572 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.454 ' HG1' HD21 ' A' ' 34' ' ' ASN . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.722 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.722 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 21.6 m-80 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 51' ' ' LEU . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 49' ' ' LEU . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -75.62 -171.01 1.41 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -146.05 159.54 43.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.04 116.54 4.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.448 -0.782 . . . . 0.0 109.858 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.6 m -129.8 151.37 50.46 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.89 141.71 54.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.205 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.7 -40.75 93.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 108.808 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.17 179.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.434 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.889 3.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 1 O4'-C1'-N19 111.819 5.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.484 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' GLY . 98.3 mttt -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 0.0 109.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.27 -61.06 0.19 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.509 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 53.34 28.93 36.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' GLN . 98.1 mt-10 50.76 -178.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.269 . . . . 0.0 110.31 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' GLU . 87.2 mt-30 35.48 -96.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.32 0.581 . . . . 0.0 110.572 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' GLU . 45.9 t-20 49.92 39.96 19.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.758 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 163.81 98.69 0.13 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.97 89.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.021 1.814 . . . . 0.0 113.342 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 36.8 m -65.8 114.41 5.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.442 -0.786 . . . . 0.0 109.526 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m -132.51 136.7 46.82 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.506 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.506 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.498 ' OG1' ' ND2' ' A' ' 34' ' ' ASN . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.709 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.571 ' C ' ' H ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 27.4 m-80 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' ' N7 ' ' C' ' 120' ' ' ' DA' . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.565 ' HG1' ' H ' ' A' ' 54' ' ' ASP . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.565 ' H ' ' HG1' ' A' ' 53' ' ' THR . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -76.46 -176.31 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -146.41 157.99 43.84 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.611 0.719 . . . . 0.0 110.094 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -82.08 118.96 23.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -0.835 . . . . 0.0 110.07 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -73.25 127.5 32.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.425 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.57 -45.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 109.643 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.549 ' CG ' ' H ' ' A' ' 66' ' ' SER . 40.1 t30 -165.42 -150.83 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.434 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.549 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 12.8 t . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.491 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.805 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.694 4.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.348 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 0 O4'-C1'-N19 110.807 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C1'-N19 111.267 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.805 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.495 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.647 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.408 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.764 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.508 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ASN . 63.9 mttp -87.93 127.11 35.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.971 . . . . 0.0 109.4 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m120 44.75 -169.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.04 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -139.37 -89.65 0.19 Allowed Glycine 0 N--CA 1.498 2.791 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -22.49 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.817 0.817 . . . . 0.0 111.827 -178.787 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 4' ' ' GLY . 98.1 mt-30 51.12 -137.57 1.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.97 44.62 25.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.525 -1.359 . . . . 0.0 109.339 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -130.0 76.16 0.41 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.09 12.49 0.36 Allowed 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.158 1.905 . . . . 0.0 111.714 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' GLY . 90.9 m -50.45 127.43 17.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.916 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m -130.07 139.34 50.98 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.601 ' CG1' HD22 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.4 t30 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 26.8 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.601 HD22 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.415 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -78.46 -163.19 0.42 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -149.21 126.15 11.24 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -93.48 125.43 38.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.025 -1.047 . . . . 0.0 109.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -145.35 155.01 42.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.041 -1.037 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.62 -1.17 15.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.928 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -63.22 -39.89 95.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.982 -1.074 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.507 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.435 3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.95 5.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.165 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 0 O4'-C1'-N19 110.883 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -40.27 94.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.816 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -89.15 41.93 1.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 0.0 109.002 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.43 133.96 46.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 50.96 -161.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -1.12 . . . . 0.0 109.848 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -61.37 145.01 53.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 110.173 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.22 -39.86 88.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.541 -0.724 . . . . 0.0 110.886 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.53 67.46 1.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 -161.11 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.934 2.423 . . . . 0.0 112.998 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.8 m -53.12 125.43 17.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 110.343 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -130.01 138.59 50.88 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.544 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.544 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.651 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.598 ' C ' ' H ' ' A' ' 28' ' ' GLU . 4.4 t30 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.651 ' H ' ' HG1' ' A' ' 20' ' ' THR . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.493 HH11 ' HG2' ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -73.78 -173.59 1.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -148.11 163.22 37.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.773 -0.58 . . . . 0.0 109.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.0 t30 -81.71 141.73 33.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.897 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ASN . 24.5 t -62.29 -131.99 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.432 -0.792 . . . . 0.0 109.697 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 68.37 -59.88 0.44 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 0.0 109.168 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.57 ' ND2' ' N ' ' A' ' 66' ' ' SER . 1.5 p-10 -63.02 -40.04 96.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.465 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.57 ' N ' ' ND2' ' A' ' 65' ' ' ASN . 60.6 p . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.632 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 112.097 5.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 1 O4'-C1'-N19 111.363 4.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.376 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.366 4.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 C3'-C2'-C1' 107.193 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.74 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.447 3.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.103 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.533 3.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 52.18 45.35 28.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 108.608 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.598 ' N ' HD21 ' A' ' 3' ' ' ASN . 0.0 OUTLIER -66.72 -173.21 0.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.614 -0.679 . . . . 0.0 109.851 -179.245 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.12 107.18 0.07 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.019 -1.633 . . . . 0.0 109.019 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.23 19.17 3.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -1.08 . . . . 0.0 109.443 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 53.36 56.96 6.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.773 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -61.62 -40.06 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.887 -1.133 . . . . 0.0 108.753 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.28 137.93 5.05 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.49 129.9 7.67 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.1 1.867 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -83.26 148.43 27.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.996 -1.065 . . . . 0.0 108.604 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -138.5 120.01 14.98 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.803 -1.185 . . . . 0.0 109.782 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.543 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.674 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG1' HD22 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.674 ' H ' ' HG1' ' A' ' 20' ' ' THR . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' C ' ' H ' ' A' ' 51' ' ' LEU . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' H ' ' C ' ' A' ' 49' ' ' LEU . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.41 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.41 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.412 HD12 HG22 ' A' ' 56' ' ' ILE . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -76.23 -170.43 1.44 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 61' ' ' ARG . 11.1 mtt-85 -142.84 -179.93 6.63 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -80.09 165.46 22.47 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.772 -1.205 . . . . 0.0 110.472 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.4 p -126.44 160.15 31.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.648 -0.658 . . . . 0.0 109.961 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.98 148.96 50.65 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.257 -0.902 . . . . 0.0 110.106 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 46.54 -115.15 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.79 . . . . 0.0 110.713 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.468 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.486 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.434 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.87 -113.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.088 -1.007 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -81.4 -66.43 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.062 -1.024 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.87 -108.3 3.15 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -150.97 -92.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 7' ' ' ASN . 74.2 mt-30 -71.85 -44.24 64.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.169 -0.957 . . . . 0.0 109.388 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 6' ' ' GLN . 5.3 m120 -173.35 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.55 -0.719 . . . . 0.0 109.255 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.93 174.94 16.27 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.83 47.81 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 0.0 111.728 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -57.99 119.82 7.44 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.581 -0.699 . . . . 0.0 109.346 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.8 m -138.94 132.31 30.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.795 HD21 ' H ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.795 ' H ' HD21 ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.496 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.496 ' H ' ' HG1' ' A' ' 53' ' ' THR . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -75.34 -166.69 0.54 Allowed 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.34 154.45 43.03 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -150.42 115.63 5.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.645 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -148.87 140.31 23.36 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.45 160.04 27.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.089 -1.007 . . . . 0.0 110.021 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -71.44 131.52 43.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.653 -0.654 . . . . 0.0 109.867 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.432 179.691 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.803 5.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.422 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.706 4.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.024 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C1'-N19 110.91 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.141 2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.445 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.573 3.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.46 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -63.05 -40.63 98.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.459 -0.776 . . . . 0.0 109.311 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -164.42 101.03 0.83 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.55 -0.719 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 113.61 1.53 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.64 -49.99 74.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.086 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.65 148.36 44.86 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.291 -0.88 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.26 97.63 0.48 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.33 148.76 3.02 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.884 1.723 . . . . 0.0 112.195 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -56.64 116.02 2.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.189 -0.944 . . . . 0.0 110.003 -178.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m -132.05 140.6 48.94 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.627 -0.671 . . . . 0.0 109.195 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.559 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.559 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.606 ' C ' ' H ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' H ' ' C ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' ' N7 ' ' C' ' 120' ' ' ' DA' . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.527 ' CE ' ' HG1' ' A' ' 17' ' ' THR . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.421 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -74.25 179.92 4.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -148.4 162.02 40.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.651 -0.656 . . . . 0.0 109.465 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -82.13 146.05 29.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 109.819 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.2 p -70.23 -20.4 63.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.19 -0.944 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.1 140.01 53.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -73.13 147.69 44.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.308 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.432 179.369 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.529 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 C3'-C2'-C1' 107.013 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.587 2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . 0.414 ' P ' ' HZ3' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.445 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.893 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 1 O4'-C1'-N19 111.189 4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.725 3.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 1 O4'-C1'-N19 111.501 4.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.4 ' N1 ' ' N3 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . 0.556 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.038 4.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.556 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.868 5.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.553 ' P ' HD22 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.618 4.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -63.4 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.52 137.31 54.92 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -87.6 9.62 72.96 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . 43.3 mt-10 55.96 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -1.081 . . . . 0.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -58.12 -31.44 67.17 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.41 -178.659 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.504 ' O ' ' C ' ' A' ' 8' ' ' GLY . 56.1 t-20 -69.96 -54.43 13.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.979 -1.076 . . . . 0.0 109.552 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 7' ' ' ASN . . . -21.09 -65.51 0.01 OUTLIER Glycine 0 N--CA 1.506 3.326 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 -178.791 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 8' ' ' GLY . 53.7 Cg_exo -52.59 -136.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.542 2.161 . . . . 0.0 113.094 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 86.2 m -54.64 120.49 6.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 108.843 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ASN . 99.1 m -134.94 137.43 43.11 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.417 -0.802 . . . . 0.0 110.235 -179.096 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.507 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 10' ' ' THR . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.403 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.414 ' HZ3' ' P ' ' B' ' 105' ' ' ' DG' . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 51' ' ' LEU . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.76 -168.71 1.28 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -149.92 167.52 26.41 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.14 131.17 35.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.04 -1.038 . . . . 0.0 109.235 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 t -64.11 135.04 56.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.153 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.58 39.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.295 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.461 ' CG ' ' H ' ' A' ' 66' ' ' SER . 66.9 t30 56.34 -130.16 1.81 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.471 -0.768 . . . . 0.0 109.156 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.461 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 2.2 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.643 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.465 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.506 0 C3'-C2'-C1' 107.007 3.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.867 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.334 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.67 135.48 33.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.118 -0.989 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -126.61 107.78 10.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.571 -0.705 . . . . 0.0 109.725 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.27 -116.2 1.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -141.33 145.85 35.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.302 -1.116 . . . . 0.0 109.874 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 8' ' ' GLY . 96.0 mt-30 -144.38 170.97 15.0 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -66.63 73.68 0.09 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.976 -1.078 . . . . 0.0 109.158 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -136.58 67.48 0.54 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -60.59 7.38 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.007 1.804 . . . . 0.0 112.583 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 8' ' ' GLY . 52.3 m -65.93 104.31 1.09 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -135.18 147.5 49.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.493 -0.754 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.65 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.65 ' H ' ' HG1' ' A' ' 20' ' ' THR . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -70.14 163.09 27.05 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -150.02 160.05 43.93 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.156 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -87.56 99.98 12.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.374 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -92.86 -9.8 38.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.048 -1.032 . . . . 0.0 109.354 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.33 37.81 16.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 108.921 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -89.09 152.42 21.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.068 179.342 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.803 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 106.958 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.094 0 C3'-C2'-C1' 106.726 2.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.291 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.537 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.551 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.688 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.546 4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 52.2 39.37 26.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -139.23 -53.09 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -0.853 . . . . 0.0 109.193 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -58.76 4.28 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -84.79 131.76 34.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.335 -1.097 . . . . 0.0 109.798 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -96.81 -78.38 0.47 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 109.348 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 7' ' ' ASN . 50.1 p30 -141.75 11.27 2.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.487 -0.758 . . . . 0.0 109.601 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.85 155.73 7.84 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.35 71.4 5.85 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.383 2.055 . . . . 0.0 112.8 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.4 m -58.93 120.04 8.33 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.374 -0.829 . . . . 0.0 109.735 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m -135.47 138.52 43.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.443 -0.786 . . . . 0.0 109.883 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.613 ' CG1' HD22 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.471 ' HG2' HH11 ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.1 t30 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.613 HD22 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -76.38 -164.26 0.38 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -146.41 159.97 42.69 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -147.2 51.51 1.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 109.324 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -152.96 156.72 39.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 0.0 109.26 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 64.65 102.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.176 -0.952 . . . . 0.0 108.908 -179.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.1 t30 55.81 43.02 28.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.331 -0.856 . . . . 0.0 109.735 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.626 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.626 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 C3'-C2'-C1' 107.136 3.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.551 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 1 O4'-C1'-N19 111.668 4.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C1'-N19 110.568 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.463 ' OP1' ' CZ ' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.551 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.402 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.424 4.531 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.014 4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 mttp 52.34 37.71 23.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.414 -0.804 . . . . 0.0 109.695 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -148.39 82.11 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.056 -1.027 . . . . 0.0 109.597 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 46.11 49.66 13.67 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.371 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' A' ' 4' ' ' GLY . 57.1 mp0 53.53 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.456 -1.026 . . . . 0.0 110.085 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -65.36 141.24 58.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.895 -1.128 . . . . 0.0 109.66 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -135.3 150.85 50.09 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -155.82 80.08 0.18 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.25 -2.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.584 ' H ' ' C ' ' A' ' 8' ' ' GLY . 95.9 m -49.97 126.36 14.12 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -127.12 132.94 50.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CZ ' ' OP1' ' C' ' 118' ' ' ' DC' . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' C ' ' H ' ' A' ' 51' ' ' LEU . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.448 ' H ' ' C ' ' A' ' 49' ' ' LEU . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.635 ' N ' HD21 ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.37 -171.6 1.84 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -145.77 155.28 42.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.719 . . . . 0.0 109.259 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.42 127.96 34.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.247 -0.908 . . . . 0.0 109.977 -179.421 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -100.16 120.02 39.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.396 -0.815 . . . . 0.0 109.324 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.03 108.83 3.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -80.96 -20.52 41.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.25 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.336 179.835 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.481 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.81 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.405 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.405 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -96.92 101.1 12.62 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.885 -1.134 . . . . 0.0 109.334 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -61.85 -41.7 98.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 109.107 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 -36.52 0.64 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 98.9 mt-10 -141.01 -65.85 0.43 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -1.013 . . . . 0.0 108.837 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' GLU . 13.0 tp60 82.85 -176.93 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.769 -0.582 . . . . 0.0 109.461 179.623 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.435 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 32.7 m120 -69.96 -23.72 63.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.006 . . . . 0.0 111.332 -178.684 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.97 74.14 0.45 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -178.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -89.52 144.42 4.68 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 123.245 2.63 . . . . 0.0 112.344 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -52.91 132.66 37.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -133.4 139.97 47.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.51 -0.744 . . . . 0.0 109.632 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' CYS . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.549 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.546 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.546 ' H ' ' HG1' ' A' ' 20' ' ' THR . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 48' ' ' PRO . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.713 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.567 ' N ' ' HG1' ' A' ' 53' ' ' THR . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.713 ' H ' ' HG1' ' A' ' 53' ' ' THR . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -75.82 -168.77 0.94 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' A' ' 61' ' ' ARG . 23.8 mtt-85 -145.9 164.62 31.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.212 -0.93 . . . . 0.0 109.78 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -142.64 118.68 10.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.314 -0.866 . . . . 0.0 109.228 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -144.02 167.27 22.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.292 -0.88 . . . . 0.0 108.989 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.42 93.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 0.0 109.072 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -86.83 -0.87 57.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 108.853 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.676 179.709 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.555 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C3'-C2'-C1' 107.145 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 112.048 5.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.433 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.812 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.435 4.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.67 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.434 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.433 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.405 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-N19 110.585 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -93.63 99.51 11.93 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.931 -1.105 . . . . 0.0 108.695 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 59.0 t-20 45.12 -114.74 0.44 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.424 -0.797 . . . . 0.0 110.122 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . -51.81 144.67 16.49 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 120.209 -0.996 . . . . 0.0 110.809 -178.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 1.7 pp20? -155.82 166.6 33.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.691 -0.888 . . . . 0.0 108.919 179.63 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.531 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 71.0 tp60 -159.56 -51.13 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.839 -1.163 . . . . 0.0 109.795 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -162.21 178.55 8.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.946 . . . . 0.0 109.709 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.96 173.21 45.44 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.25 178.34 0.12 Allowed 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.607 2.205 . . . . 0.0 112.065 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.72 119.93 7.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.397 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -135.25 132.57 37.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.639 -0.663 . . . . 0.0 109.886 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.528 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.528 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.687 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.687 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.67 HH21 ' P ' ' C' ' 119' ' ' ' DT' . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.715 ' HG1' ' H ' ' A' ' 55' ' ' VAL . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' H ' ' HG1' ' A' ' 53' ' ' THR . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -76.64 -164.46 0.42 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 61' ' ' ARG . 20.2 mtt-85 -147.51 170.69 16.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -80.48 137.27 36.45 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.127 -0.983 . . . . 0.0 108.836 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.8 t -69.5 131.51 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.733 -179.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.64 147.29 49.37 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.408 ' O ' ' OG ' ' A' ' 66' ' ' SER . 21.8 m120 -129.37 133.78 47.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 -179.785 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 66' ' ' SER . 60.0 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.741 179.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.697 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.285 3.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.764 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 0 O4'-C1'-N19 110.523 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 111.194 4.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.496 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.371 4.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.234 0.54 . . . . 0.0 109.762 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 56.57 52.52 9.67 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.273 -0.892 . . . . 0.0 109.185 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -98.09 10.47 40.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.426 -0.796 . . . . 0.0 109.247 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -64.97 2.76 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -93.73 40.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.31 -1.112 . . . . 0.0 109.561 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -62.28 140.03 58.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.896 -1.128 . . . . 0.0 109.928 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -101.4 162.86 12.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 141.38 -50.41 0.73 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 74.3 Cg_exo -49.38 162.2 0.58 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.681 2.254 . . . . 0.0 112.966 -179.287 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 11' ' ' THR . 3.5 m -81.97 163.78 21.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.524 -0.735 . . . . 0.0 109.391 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 10' ' ' THR . 91.3 m -135.0 141.0 46.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.13 -0.981 . . . . 0.0 110.0 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' PHE . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' C ' ' H ' ' A' ' 17' ' ' THR . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.704 ' HG1' ' HZ3' ' A' ' 52' ' ' LYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.44 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.57 ' C ' ' H ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.713 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.71 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.518 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 ' C ' ' H ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.704 ' HZ3' ' HG1' ' A' ' 17' ' ' THR . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -77.54 -166.32 0.74 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm-85 -146.67 149.71 34.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.42 132.7 34.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -86.12 45.4 1.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 0.0 110.058 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 52.97 27.69 5.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.123 -0.986 . . . . 0.0 108.943 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -159.74 138.06 10.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.431 -0.793 . . . . 0.0 109.101 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.123 -0.942 . . . . 0.0 108.944 179.597 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.68 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.481 0 C3'-C2'-C1' 107.074 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.612 3.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 1 O4'-C1'-N19 112.043 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.526 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C1'-N19 111.656 4.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.724 3.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.324 4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.595 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.817 3.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 50.01 -142.81 0.6 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.966 -1.084 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -145.07 99.88 3.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 109.763 -179.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -80.16 44.22 2.8 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 4' ' ' GLY . 97.7 mt-10 54.54 154.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.872 0.844 . . . . 0.0 110.289 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 28.5 mm100 -101.18 -38.69 8.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 91.2 m-20 -148.98 100.46 3.07 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . 43.56 -165.48 0.03 OUTLIER Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.45 -170.64 0.92 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.321 2.014 . . . . 0.0 111.745 179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -61.15 108.43 0.9 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.168 -0.958 . . . . 0.0 108.86 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m -136.32 133.12 36.54 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.588 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.73 175.11 6.74 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -140.48 139.05 35.07 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.365 -179.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -94.35 118.94 32.37 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -140.7 -15.41 0.92 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.49 91.55 5.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -0.775 . . . . 0.0 109.397 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -152.45 136.48 16.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.395 -0.816 . . . . 0.0 109.606 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.349 -179.939 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.535 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.946 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.944 5.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.225 0 O4'-C1'-N19 110.364 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.757 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.463 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.418 3.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 1 O4'-C1'-N19 111.016 4.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . 0.442 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.54 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.336 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.556 ' C ' ' H ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 61.19 1.1 0.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.054 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.556 ' H ' ' C ' ' A' ' 1' ' ' MET . 84.8 m-20 -97.39 72.45 2.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.807 . . . . 0.0 108.89 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -60.82 -43.48 99.17 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 26.8 tp10 39.95 -130.33 0.32 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.803 -0.822 . . . . 0.0 109.452 -179.57 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -104.54 118.32 36.31 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -151.62 139.54 19.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.14 -0.975 . . . . 0.0 109.01 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 139.81 -41.0 1.35 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.626 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 62.5 Cg_exo -52.75 151.17 20.29 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.252 1.968 . . . . 0.0 112.723 -179.398 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 11' ' ' THR . 1.7 m -81.16 168.76 18.2 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.499 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.462 ' N ' ' CG2' ' A' ' 10' ' ' THR . 99.6 m -129.11 138.06 51.6 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.07 -1.019 . . . . 0.0 109.863 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.758 HD21 ' H ' ' A' ' 28' ' ' GLU . 1.3 t30 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.758 ' H ' HD21 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.705 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.51 ' C ' ' H ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' LEU . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.51 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' LEU . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 58' ' ' LYS . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.04 -173.04 1.16 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.486 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.3 OUTLIER -139.85 156.38 46.75 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.769 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' ARG . 80.6 m-20 -149.72 26.92 0.82 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.989 -1.069 . . . . 0.0 109.055 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -64.1 -42.05 97.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.562 -0.711 . . . . 0.0 109.895 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.41 121.18 27.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 66' ' ' SER . 20.6 t-20 54.68 -121.27 1.77 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.827 . . . . 0.0 109.706 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 29.0 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.31 -179.657 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.433 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.277 5.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.512 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.6 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.294 4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.295 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.417 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.512 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 1 O4'-C1'-N19 111.848 5.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.35 143.79 53.65 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -81.84 109.43 16.21 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 110.104 -179.039 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -169.47 32.22 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.13 153.16 45.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 108.877 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.561 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.2 pm0 -89.55 -7.36 55.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.973 -1.079 . . . . 0.0 108.966 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -84.65 77.83 9.97 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -100.79 -174.33 29.36 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 179.535 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.51 4.96 0.29 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 121.832 1.688 . . . . 0.0 110.984 179.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.555 ' H ' ' C ' ' A' ' 8' ' ' GLY . 43.6 m -69.84 103.02 2.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.838 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -136.32 144.46 44.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.682 -0.636 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.564 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.564 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.708 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.708 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -75.67 -171.43 1.56 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -151.45 159.53 44.16 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.217 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -84.17 156.99 21.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 m -68.22 113.67 6.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.75 -1.32 40.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.892 . . . . 0.0 109.82 -179.676 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 66' ' ' SER . 2.8 t-20 -144.77 151.64 39.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.068 -1.02 . . . . 0.0 108.987 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.467 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 22.5 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.014 -1.054 . . . . 0.0 109.505 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.81 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.603 4.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.465 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.479 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.444 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.849 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.516 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . 0.478 " C3'" HD22 ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.186 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.4 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -135.57 158.8 43.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 109.336 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -52.72 144.49 14.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.251 -0.906 . . . . 0.0 109.124 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 161.03 -36.09 0.41 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 59.3 -80.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.592 -0.946 . . . . 0.0 108.866 -179.56 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLY . 96.0 mt-30 51.21 31.79 7.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.222 -0.924 . . . . 0.0 110.082 179.266 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 7.0 p30 42.95 20.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.285 -0.885 . . . . 0.0 110.274 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.618 ' C ' ' H ' ' A' ' 10' ' ' THR . . . 129.16 171.79 13.03 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.742 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.21 23.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.757 2.305 . . . . 0.0 111.749 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.618 ' H ' ' C ' ' A' ' 8' ' ' GLY . 40.1 m -57.8 116.62 3.56 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.472 0.653 . . . . 0.0 110.146 -179.176 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m -138.95 128.71 24.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -0.769 . . . . 0.0 109.228 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.592 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.401 ' CD ' HE22 ' A' ' 6' ' ' GLN . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.631 ' HG1' ' H ' ' A' ' 34' ' ' ASN . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.631 ' H ' ' HG1' ' A' ' 20' ' ' THR . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' C ' ' H ' ' A' ' 51' ' ' LEU . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 49' ' ' LEU . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.426 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.665 ' HG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.665 ' N ' ' HG1' ' A' ' 53' ' ' THR . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -71.62 -175.31 1.3 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -148.14 -174.15 4.5 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.478 HD22 " C3'" ' C' ' 122' ' ' ' DC' . 96.8 m-20 -77.87 142.92 38.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.052 -1.03 . . . . 0.0 109.306 -179.913 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.5 p -89.87 174.07 7.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.538 -0.726 . . . . 0.0 110.556 -178.72 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 70.01 31.42 3.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.82 -0.55 . . . . 0.0 110.181 179.592 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -65.18 -24.06 67.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.005 179.303 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.941 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.688 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 C3'-C2'-C1' 106.821 2.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.706 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 0 O4'-C1'-N19 110.659 3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.151 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.529 3.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 1' ' ' MET . 13.1 tmm? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -80.22 -98.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 108.82 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.02 -36.35 75.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.106 -0.996 . . . . 0.0 109.304 179.395 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.48 -42.19 0.1 OUTLIER Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 162.95 37.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.156 -1.203 . . . . 0.0 109.635 -179.503 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' ASN . 78.5 mt-30 -132.09 141.54 49.21 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.479 -0.763 . . . . 0.0 109.529 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.559 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 58.7 t30 39.98 -154.48 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.715 -0.616 . . . . 0.0 110.41 179.461 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.559 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 52.63 83.28 0.04 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -40.91 147.76 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.382 2.055 . . . . 0.0 112.308 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 m -64.16 98.04 0.21 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.969 -179.389 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -127.62 136.37 51.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.508 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' ARG . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -75.07 -176.09 2.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -145.88 159.71 42.83 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -153.79 118.4 4.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.318 -0.864 . . . . 0.0 109.332 179.678 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.1 p -148.91 164.67 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.163 -0.961 . . . . 0.0 109.69 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.81 147.26 37.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.938 . . . . 0.0 110.008 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.12 119.97 39.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.414 -0.804 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.025 -1.047 . . . . 0.0 109.569 179.797 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 101' ' ' ' DC' . . . . . 0.741 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.43 4.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.089 4.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.8 3.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 118' ' ' ' DC' . . . . . 0.544 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.296 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.409 ' OP2' ' OD1' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 112.21 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.297 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.515 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -67.38 -39.76 85.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.109 -0.994 . . . . 0.0 109.776 178.962 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -133.48 -11.08 2.8 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -76.57 -38.0 33.76 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.6 tt0 36.52 -94.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.978 -0.719 . . . . 0.0 110.976 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' GLY . 93.9 mt-30 -74.14 128.42 35.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.804 -1.185 . . . . 0.0 109.625 -179.828 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 50.2 p30 -124.01 -20.55 5.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 179.591 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -77.64 124.45 6.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.642 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.3 12.26 2.38 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.782 1.655 . . . . 0.0 112.102 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 103.42 0.3 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -128.57 136.96 51.45 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.473 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.587 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' A' ' 30' ' ' GLN . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' NE2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.696 HD21 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 41.3 m80 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ARG . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 HG22 HD11 ' A' ' 56' ' ' ILE . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -75.16 -168.06 0.72 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -152.56 159.88 43.25 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.195 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -94.12 131.17 39.92 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.316 -0.865 . . . . 0.0 109.913 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -132.41 119.11 20.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.297 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.82 -65.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.392 -0.818 . . . . 0.0 109.112 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 m120 50.39 46.72 24.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.335 -0.853 . . . . 0.0 109.752 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.317 179.279 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.268 0.556 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.481 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.6 m-20 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.405 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.529 HH11 ' CG ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' ND2' ' A' ' 14' ' ' ASN . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' N ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.513 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.464 ' O ' HD13 ' A' ' 49' ' ' LEU . 43.5 m-20 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.616 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 14' ' ' ASN . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.2 m-20 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 38' ' ' LEU . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HG2' HH11 ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t-20 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.621 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.588 HD22 ' ND2' ' A' ' 14' ' ' ASN . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.349 0.595 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD13 ' A' ' 49' ' ' LEU . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.584 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.936 ' CG1' HD22 ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.4 t-20 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.936 HD22 ' CG1' ' A' ' 22' ' ' VAL . 7.5 m120 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 14' ' ' ASN . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.073 0.463 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD21 ' A' ' 38' ' ' LEU . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' HH11 ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 16' ' ' PHE . 8.3 m . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.475 ' ND2' HD22 ' A' ' 32' ' ' LEU . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.951 ' CG1' HD22 ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.951 HD22 ' CG1' ' A' ' 22' ' ' VAL . 11.3 m120 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.574 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 25' ' ' ARG . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.5 2.039 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.568 ' ND2' HD22 ' A' ' 32' ' ' LEU . 34.1 m-20 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.575 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 1.9 pm0 -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.602 HH11 ' CG ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 14' ' ' ASN . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.187 0.518 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' HD22 ' A' ' 32' ' ' LEU . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 13.7 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' ND2' ' A' ' 14' ' ' ASN . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 . . . . . 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 14' ' ' ASN . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.35 0.595 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.3 m120 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD22 ' OD1' ' A' ' 14' ' ' ASN . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.264 0.554 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.449 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.5 t-20 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.3 p-10 -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' VAL . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 53' ' ' THR . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.631 ' ND2' HD22 ' A' ' 32' ' ' LEU . 59.2 m-20 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.927 ' CG1' HD22 ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG2' HH11 ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.631 HD22 ' ND2' ' A' ' 14' ' ' ASN . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.927 HD22 ' CG1' ' A' ' 22' ' ' VAL . 6.6 m120 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' PRO . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 14' ' ' ASN . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' ND2' HD22 ' A' ' 32' ' ' LEU . 52.3 m-20 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.897 ' CG1' HD22 ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.897 HD22 ' CG1' ' A' ' 22' ' ' VAL . 8.0 m120 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 32' ' ' LEU . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 52' ' ' LYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.635 ' CG1' HD21 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.5 t-20 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.586 HD22 ' ND2' ' A' ' 14' ' ' ASN . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.635 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 . . . . . 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' OG1' ' CE ' ' A' ' 52' ' ' LYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 25' ' ' ARG . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.3 t-20 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' HG2' HH11 ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 121.346 0.594 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.602 ' ND2' HD22 ' A' ' 32' ' ' LEU . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 HG13 ' A' ' 22' ' ' VAL . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' PRO . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 . . . . . 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.8 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.242 0.544 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.588 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.581 ' ND2' HD22 ' A' ' 32' ' ' LEU . 67.0 m-20 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' ND2' ' A' ' 14' ' ' ASN . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' LEU . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.254 0.55 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.487 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 14' ' ' ASN . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.497 0.665 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.074 0.464 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 19' ' ' THR . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 22' ' ' VAL . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 14' ' ' ASN . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.644 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 48.7 m-20 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.359 0.6 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.618 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD22 ' ND2' ' A' ' 14' ' ' ASN . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 47' ' ' ARG . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 121.26 0.553 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' CYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 20' ' ' THR . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 121.115 0.483 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' ND2' HD22 ' A' ' 32' ' ' LEU . 32.9 m-20 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.0 t-20 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.625 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' C ' ' N ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 55' ' ' VAL . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.371 0.605 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.517 ' O ' HD13 ' A' ' 49' ' ' LEU . 71.1 m-20 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 42' ' ' LEU . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 14' ' ' ASN . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.8 m-20 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' ND2' ' A' ' 14' ' ' ASN . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.419 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' O ' HD13 ' A' ' 49' ' ' LEU . 7.2 m120 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.484 HH11 HD23 ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' ASN . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.579 ' O ' HD13 ' A' ' 49' ' ' LEU . 35.4 m-20 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.668 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 28' ' ' GLU . 1.9 mp0 -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.614 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.614 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 27.7 m-70 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 14' ' ' ASN . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.4 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.629 3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.788 4.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.449 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O4'-C1'-N19 110.823 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.681 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.241 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 C3'-C2'-C1' 106.922 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.938 3.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.57 3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.41 -40.3 90.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.925 -1.109 . . . . 0.0 110.082 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -85.21 145.7 27.45 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.964 -1.085 . . . . 0.0 109.676 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.26 -24.17 64.14 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' A' ' 7' ' ' ASN . 83.2 tt0 -143.7 147.59 34.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.306 . . . . 0.0 108.567 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.472 ' O ' ' O ' ' A' ' 7' ' ' ASN . 95.7 mm-40 -71.91 -21.36 61.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.93 -1.106 . . . . 0.0 110.424 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 23.2 t-20 -45.09 174.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.164 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.56 168.31 26.47 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.1 -6.35 13.96 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.26 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 83.3 m -59.98 119.95 8.73 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.586 0.708 . . . . 0.0 110.594 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m -139.14 137.75 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.625 -0.672 . . . . 0.0 109.806 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.481 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.6 m-20 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD22 ' ND2' ' A' ' 14' ' ' ASN . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.506 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 28.7 p-10 -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' N ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.513 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -76.71 -173.6 2.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -139.98 133.59 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.675 -0.641 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -157.65 132.53 8.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 109.564 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -60.25 139.98 57.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.322 -0.861 . . . . 0.0 109.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.01 88.03 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -155.6 160.89 40.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.478 -0.764 . . . . 0.0 109.288 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.522 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.4 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.35 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.422 ' O4 ' ' N4 ' ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.542 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.854 5.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.251 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.595 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.865 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.526 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.571 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.422 ' N4 ' ' O4 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LYS . 24.3 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 50.3 mtmt 53.07 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' LYS . 13.3 p30 41.11 -160.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.644 . . . . 0.0 110.624 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 146.5 50.38 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASN . 13.4 pt-20 -165.26 -130.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -1.151 . . . . 0.0 109.325 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' GLU . 90.4 mt-30 29.49 -90.9 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.233 0.54 . . . . 0.0 111.45 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLU . 44.3 t30 68.53 -44.67 0.52 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.751 -0.593 . . . . 0.0 109.746 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' GLN . . . -175.42 105.34 0.2 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.091 -2.004 . . . . 0.0 108.091 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.68 95.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.772 1.648 . . . . 0.0 112.965 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -57.44 121.78 11.05 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.369 0.604 . . . . 0.0 109.462 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -129.57 135.8 49.03 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.464 ' O ' HD13 ' A' ' 49' ' ' LEU . 43.5 m-20 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.571 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 27.1 p-10 -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.616 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 14' ' ' ASN . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -77.79 -168.9 1.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -146.0 149.24 33.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.04 146.8 26.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.0 109.819 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -132.43 130.67 40.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.21 161.03 21.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.114 -0.992 . . . . 0.0 109.734 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -84.49 167.44 16.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.772 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.695 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.904 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.125 2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.077 0 C3'-C2'-C1' 106.993 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C1'-N19 110.375 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.736 3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.563 4.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.578 4.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.639 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.573 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.18 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 1 O4'-C1'-N19 111.286 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.789 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.67 -39.41 94.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.546 -0.721 . . . . 0.0 109.435 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -93.97 140.18 30.02 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.251 -0.905 . . . . 0.0 110.388 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.72 -163.38 53.52 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -155.46 164.45 38.68 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 57.35 58.82 3.64 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.793 -1.192 . . . . 0.0 109.018 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -60.41 -40.96 92.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.594 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.23 -179.86 36.22 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.95 113.09 0.6 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.462 2.775 . . . . 0.0 113.079 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 m -53.05 111.97 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -135.12 129.04 33.27 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.588 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.2 m-20 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 38' ' ' LEU . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.621 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.4 t-20 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.621 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.588 HD22 ' ND2' ' A' ' 14' ' ' ASN . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.427 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.09 -172.92 2.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -144.22 168.65 19.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.444 -0.785 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -76.66 148.09 37.09 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.58 ' OG ' ' ND2' ' A' ' 65' ' ' ASN . 93.5 p -68.04 151.14 47.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.092 -1.005 . . . . 0.0 109.366 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.69 96.43 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.428 -0.795 . . . . 0.0 108.923 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.58 ' ND2' ' OG ' ' A' ' 63' ' ' SER . 92.9 m-20 48.92 -105.47 0.16 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.58 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.822 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.504 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 C3'-C2'-C1' 106.968 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.384 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.909 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.659 4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.958 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.976 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.019 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.531 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 27.4 tptp -133.79 -86.14 0.43 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m120 51.89 40.7 28.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.169 -0.957 . . . . 0.0 110.007 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' H ' ' HG3' ' A' ' 2' ' ' LYS . . . -59.81 -39.89 95.98 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.38 164.71 14.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -1.193 . . . . 0.0 110.504 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 51.96 50.06 19.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.522 -0.737 . . . . 0.0 109.544 -178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.82 170.2 23.23 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -36.55 122.24 0.31 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.911 2.407 . . . . 0.0 113.172 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -59.22 119.28 7.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.0 109.23 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -134.9 138.24 43.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.696 -0.628 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD13 ' A' ' 49' ' ' LEU . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.936 ' CG1' HD22 ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 18.4 t-20 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.936 HD22 ' CG1' ' A' ' 22' ' ' VAL . 7.5 m120 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 14' ' ' ASN . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -73.22 176.68 5.69 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.4 mtt-85 -142.5 153.57 43.75 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.95 132.12 34.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 108.826 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 t -65.18 -46.74 79.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 109.869 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.62 -60.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.45 -0.782 . . . . 0.0 109.67 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.13 140.81 55.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.48 -0.762 . . . . 0.0 109.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.993 -1.067 . . . . 0.0 109.545 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.779 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.791 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 112.191 5.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.839 1 O4'-C1'-N19 111.284 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.081 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.733 1 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-N19 110.404 3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.785 4.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.405 " H2'" ' H71' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.054 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.405 ' H71' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.196 2.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' O ' ' A' ' 1' ' ' MET . 6.9 tmm? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -73.95 148.48 42.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.046 -1.033 . . . . 0.0 108.821 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 50.53 49.62 20.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.953 -1.092 . . . . 0.0 109.364 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.45 162.86 23.91 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.15 142.9 43.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -1.183 . . . . 0.0 109.739 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.8 -42.06 92.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.783 . . . . 0.0 109.509 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 33.8 p-10 -173.09 -65.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.631 -1.293 . . . . 0.0 109.655 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -141.11 171.2 24.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -37.01 143.6 0.13 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.826 2.351 . . . . 0.0 112.251 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.6 m -57.01 118.23 4.78 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.311 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -132.27 139.27 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.482 -0.762 . . . . 0.0 109.776 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.509 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD21 ' A' ' 38' ' ' LEU . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' HH11 ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.552 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.0 t-20 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.425 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 32.5 p-10 -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG2' HH11 ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -74.88 178.1 5.79 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -149.55 164.51 34.9 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -82.59 143.41 31.04 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.843 -1.161 . . . . 0.0 109.465 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -67.41 128.64 37.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.107 -0.995 . . . . 0.0 109.26 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.97 -57.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 108.709 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.54 -43.74 96.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.734 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.881 -179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.494 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.605 4.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.531 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.728 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.541 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 O4'-C1'-N19 111.067 4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.516 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -149.98 152.28 34.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.278 -0.889 . . . . 0.0 109.283 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -159.4 159.08 33.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.899 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.74 -60.67 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.638 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 3.7 pm0 -85.65 26.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.189 -1.183 . . . . 0.0 109.926 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -50.34 130.07 22.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.178 -0.951 . . . . 0.0 108.523 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -121.8 44.63 2.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 110.246 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.24 59.44 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.56 116.63 4.75 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.505 2.136 . . . . 0.0 112.24 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 m -59.92 119.93 8.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.623 -0.673 . . . . 0.0 110.095 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 16' ' ' PHE . 8.3 m -131.16 140.0 49.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 109.282 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.475 ' ND2' HD22 ' A' ' 32' ' ' LEU . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.951 ' CG1' HD22 ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.951 HD22 ' CG1' ' A' ' 22' ' ' VAL . 11.3 m120 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.574 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -69.36 164.57 22.63 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' A' ' 61' ' ' ARG . 54.8 mtm-85 -148.05 158.56 44.13 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.561 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -86.97 144.15 27.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -90.93 156.51 17.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.213 -0.93 . . . . 0.0 109.741 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.42 -69.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 45.82 -118.48 0.76 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.797 . . . . 0.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.258 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.656 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 1 O4'-C1'-N19 111.489 4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.237 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.557 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.58 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.786 3.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.279 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.471 ' P ' ' HE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -95.96 114.33 26.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.198 -0.939 . . . . 0.0 109.382 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.6 76.68 1.31 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.214 -0.929 . . . . 0.0 108.793 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -69.43 78.19 0.34 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 4' ' ' GLY . 83.8 tt0 56.71 153.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.763 -0.845 . . . . 0.0 109.968 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -149.54 154.87 39.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.035 -1.041 . . . . 0.0 108.527 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -155.92 153.06 29.04 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.774 -1.203 . . . . 0.0 110.205 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.04 -69.19 0.05 OUTLIER Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.17 54.14 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.858 2.372 . . . . 0.0 111.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.1 m -55.34 116.14 2.67 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.396 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m -134.47 142.56 47.11 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.568 -0.708 . . . . 0.0 109.233 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 25' ' ' ARG . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.534 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -74.57 174.39 9.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HE ' ' P ' ' C' ' 122' ' ' ' DC' . 35.5 mtp180 -138.37 131.27 29.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.729 -0.607 . . . . 0.0 109.582 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -89.89 111.57 22.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 108.957 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.2 m -140.02 157.55 45.48 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.42 63.89 2.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.007 . . . . 0.0 109.813 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.546 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.714 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.755 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.031 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.287 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.044 4.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.501 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.964 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.554 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.54 4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -67.86 140.39 56.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.197 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 41.2 p-10 -69.75 -19.89 63.52 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.002 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 88.16 -54.04 4.22 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -89.98 75.42 7.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 108.79 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.08 -39.88 90.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.687 . . . . 0.0 109.837 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.42 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 33.5 t-20 51.35 -164.42 0.06 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 153.2 161.19 10.16 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.61 6.28 2.86 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.132 . . . . 0.0 111.832 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.3 m -60.24 120.01 9.0 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.424 0.63 . . . . 0.0 110.341 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -136.51 146.1 45.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.621 -0.674 . . . . 0.0 109.916 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 27.5 p-10 -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.755 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -81.66 -162.36 0.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.3 mtt-85 -139.93 159.77 41.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -146.75 86.78 1.67 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.817 -1.177 . . . . 0.0 110.566 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t -74.27 -29.19 61.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.19 -12.59 57.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.307 -0.871 . . . . 0.0 110.347 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -62.32 134.58 56.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.004 -1.06 . . . . 0.0 110.053 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.352 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.49 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.599 3.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.113 1 O4'-C1'-N19 111.834 5.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.235 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.668 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.913 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.574 ' P ' HD22 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.221 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.767 4.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt 50.44 -177.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.422 -0.799 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLY . 69.9 m-80 -126.11 133.66 51.57 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.464 -0.772 . . . . 0.0 110.215 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' ASN . . . -59.37 -108.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -148.89 -39.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -1.161 . . . . 0.0 109.109 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -123.06 148.43 45.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.704 -0.623 . . . . 0.0 109.328 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.39 127.72 34.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.83 . . . . 0.0 110.083 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.34 106.98 0.23 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.22 55.45 5.1 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.093 1.862 . . . . 0.0 112.902 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -83.14 150.2 26.4 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.39 -0.818 . . . . 0.0 108.897 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -131.89 133.74 44.93 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.021 -1.05 . . . . 0.0 109.557 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.568 ' ND2' HD22 ' A' ' 32' ' ' LEU . 34.1 m-20 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 1.9 pm0 -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.602 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.574 HD22 ' P ' ' C' ' 120' ' ' ' DA' . 31.8 p-10 -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 14' ' ' ASN . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -68.09 161.22 27.34 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -147.31 178.44 8.41 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -76.63 151.16 36.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.102 . . . . 0.0 109.459 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.9 p -61.68 -45.8 92.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.833 . . . . 0.0 109.884 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.01 160.02 8.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.707 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 66' ' ' SER . 18.8 p30 -60.26 -40.05 88.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.973 . . . . 0.0 109.321 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 6.4 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.305 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.634 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.435 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.005 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 1 O4'-C1'-N19 111.79 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.918 1 O4'-C1'-N19 111.259 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.407 " H2'" ' H71' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.407 ' H71' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.964 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.374 0.606 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -63.26 141.4 58.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -79.54 162.81 25.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 110.146 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.64 153.93 0.27 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.32 155.62 46.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.647 -0.914 . . . . 0.0 108.566 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -145.51 160.27 41.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.844 -1.16 . . . . 0.0 109.008 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -152.0 162.18 41.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.2 9.7 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.24 109.91 2.19 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.348 2.032 . . . . 0.0 112.816 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -62.63 119.29 8.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.52 -0.737 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m -131.54 141.19 49.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.682 -0.636 . . . . 0.0 109.779 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' HD22 ' A' ' 32' ' ' LEU . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.557 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.557 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 13.7 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' ND2' ' A' ' 14' ' ' ASN . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -73.01 -172.73 1.1 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 61' ' ' ARG . 33.1 mtm-85 -145.96 153.9 41.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.651 -0.655 . . . . 0.0 109.275 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -151.63 85.01 1.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.24 -0.912 . . . . 0.0 109.47 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.949 . . . . 0.0 108.948 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -171.39 -57.76 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -147.65 140.36 24.75 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.232 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.671 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.324 3.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 1 O4'-C1'-N19 111.33 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.685 4.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.722 3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.299 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.994 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.245 0.545 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.26 41.8 30.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.321 -0.862 . . . . 0.0 108.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.98 -43.08 95.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.992 . . . . 0.0 108.596 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.7 -51.62 1.34 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -108.45 -116.74 0.28 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.342 -1.093 . . . . 0.0 109.409 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -142.11 144.86 33.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.051 . . . . 0.0 109.413 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.46 107.25 19.41 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 -175.5 18.26 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.37 165.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.924 2.416 . . . . 0.0 112.972 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.0 m -47.05 134.35 10.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.545 0.688 . . . . 0.0 110.272 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -128.8 142.21 51.06 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.593 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.8 t-20 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 14' ' ' ASN . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.12 -179.12 3.66 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -146.79 157.7 43.73 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -84.82 156.1 21.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 0.0 109.846 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.52 130.06 42.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.81 67.14 0.96 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.467 -0.77 . . . . 0.0 109.211 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -135.92 7.73 3.22 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.414 ' OXT' ' OG ' ' A' ' 66' ' ' SER . 14.7 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.53 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.37 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.407 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.407 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 112.086 5.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.639 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.05 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.511 4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.416 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.447 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 tpp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -70.28 140.09 52.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.931 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' GLU . 54.4 t-20 -114.43 29.63 7.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 -76.18 0.03 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASN . 88.4 tt0 -136.2 147.85 47.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.371 -1.076 . . . . 0.0 108.769 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -139.93 161.72 36.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.172 -0.955 . . . . 0.0 110.137 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.0 t30 60.86 167.02 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.6 -178.05 34.24 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.25 123.16 7.01 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.714 2.276 . . . . 0.0 112.0 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 m -83.1 147.47 28.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.039 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m -133.0 136.31 45.97 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.15 -0.969 . . . . 0.0 109.599 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.3 m120 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.492 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD22 ' OD1' ' A' ' 14' ' ' ASN . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.514 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -82.59 -163.46 0.7 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 61' ' ' ARG . 20.5 mtt-85 -145.0 149.77 35.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -156.52 115.84 3.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.208 -0.932 . . . . 0.0 109.375 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.4 m -98.05 -128.24 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.368 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 49.98 -148.45 0.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -105.8 116.85 32.65 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.344 -0.848 . . . . 0.0 109.279 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.612 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.722 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.358 0 C3'-C2'-C1' 107.077 3.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . 0.426 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.724 4.904 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.538 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.022 4.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.326 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.654 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.513 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.291 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.497 ' OP1' ' NE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.274 0 C3'-C2'-C1' 107.059 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.392 4.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -100.04 125.34 46.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.419 -0.801 . . . . 0.0 109.782 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -103.09 5.48 38.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.323 -0.861 . . . . 0.0 109.29 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -76.02 0.43 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.11 118.48 32.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.534 -0.98 . . . . 0.0 108.672 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -81.85 129.28 34.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.192 -0.943 . . . . 0.0 109.528 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.59 158.97 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.475 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -118.83 175.43 15.71 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 8' ' ' GLY . 87.0 Cg_exo -47.53 -162.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.985 2.457 . . . . 0.0 113.143 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -47.32 132.25 13.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.454 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m -133.26 139.38 46.91 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 0.0 109.614 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.5 t-20 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.513 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 26.5 p-10 -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -85.63 -156.23 0.27 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NE ' ' OP1' ' C' ' 122' ' ' ' DC' . 5.9 mtp180 -137.61 101.7 4.55 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -97.21 -3.12 41.44 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.038 -1.039 . . . . 0.0 110.152 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -90.43 3.9 52.52 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.39 140.07 51.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -107.13 124.74 50.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 0.0 109.48 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.327 179.776 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.69 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.947 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.628 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.23 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.4 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.579 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 C3'-C2'-C1' 106.828 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 1' ' ' MET . 10.0 tmm? . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.03 144.92 56.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.946 -1.096 . . . . 0.0 109.993 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 5' ' ' GLU . 98.0 m-20 52.66 -119.7 1.55 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.669 -0.644 . . . . 0.0 109.618 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.03 -91.12 0.01 OUTLIER Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' ASN . 34.3 tp10 58.81 161.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.537 -0.978 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 60.05 41.54 17.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.408 -0.807 . . . . 0.0 109.543 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.9 t-20 -60.43 -40.35 90.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.046 -1.034 . . . . 0.0 110.791 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -174.66 -59.67 0.05 OUTLIER Glycine 0 N--CA 1.491 2.36 0 C-N-CA 118.834 -1.65 . . . . 0.0 111.632 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -34.51 80.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.928 2.418 . . . . 0.0 113.427 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 8' ' ' GLY . 81.8 m -56.43 124.65 18.85 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.742 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -130.7 137.97 49.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.73 -0.606 . . . . 0.0 109.381 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.401 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.539 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 31.3 p-10 -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' VAL . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 53' ' ' THR . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.18 161.42 27.09 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HG3' HH11 ' A' ' 61' ' ' ARG . 43.0 mtm-85 -147.56 163.8 35.43 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.273 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -84.59 114.39 21.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.365 -0.835 . . . . 0.0 109.808 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.1 m -60.41 -44.08 96.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.498 -0.751 . . . . 0.0 109.448 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.06 169.79 7.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.943 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -103.18 128.54 50.11 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.468 -0.77 . . . . 0.0 109.139 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.083 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.439 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.577 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.778 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.993 5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.941 5.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.79 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.864 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.494 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.573 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.27 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.232 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 O4'-C1'-N19 110.237 3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.33 0.586 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.34 87.61 7.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.204 -0.935 . . . . 0.0 108.816 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -93.75 -5.58 48.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.839 . . . . 0.0 109.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.82 49.35 5.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.49 81.45 8.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -1.082 . . . . 0.0 109.042 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -148.19 -89.8 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -136.48 143.75 43.98 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.38 129.53 22.89 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.69 -105.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.073 1.849 . . . . 0.0 112.177 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.0 m -50.08 132.64 23.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.58 -0.7 . . . . 0.0 109.852 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m -129.91 135.52 48.44 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.631 ' ND2' HD22 ' A' ' 32' ' ' LEU . 59.2 m-20 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.927 ' CG1' HD22 ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.631 HD22 ' ND2' ' A' ' 14' ' ' ASN . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.927 HD22 ' CG1' ' A' ' 22' ' ' VAL . 6.6 m120 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 14' ' ' ASN . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -75.62 -171.01 1.41 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -146.05 159.54 43.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.04 116.54 4.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.448 -0.782 . . . . 0.0 109.858 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.6 m -129.8 151.37 50.46 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.89 141.71 54.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.205 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.7 -40.75 93.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 108.808 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.17 179.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.889 3.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 1 O4'-C1'-N19 111.819 5.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.484 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' A' ' 4' ' ' GLY . 98.3 mttt -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 0.0 109.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.27 -61.06 0.19 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.509 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 53.34 28.93 36.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' GLN . 98.1 mt-10 50.76 -178.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.269 . . . . 0.0 110.31 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' GLU . 87.2 mt-30 35.48 -96.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.32 0.581 . . . . 0.0 110.572 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' GLU . 45.9 t-20 49.92 39.96 19.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.758 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 163.81 98.69 0.13 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.97 89.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.021 1.814 . . . . 0.0 113.342 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 36.8 m -65.8 114.41 5.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.442 -0.786 . . . . 0.0 109.526 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m -132.51 136.7 46.82 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' ND2' HD22 ' A' ' 32' ' ' LEU . 52.3 m-20 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.897 ' CG1' HD22 ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HE ' ' ND2' ' A' ' 34' ' ' ASN . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD22 ' ND2' ' A' ' 14' ' ' ASN . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.897 HD22 ' CG1' ' A' ' 22' ' ' VAL . 8.0 m120 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' ' N7 ' ' C' ' 120' ' ' ' DA' . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -76.46 -176.31 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -146.41 157.99 43.84 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.611 0.719 . . . . 0.0 110.094 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -82.08 118.96 23.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -0.835 . . . . 0.0 110.07 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -73.25 127.5 32.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.425 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.57 -45.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 109.643 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.515 ' CG ' ' H ' ' A' ' 66' ' ' SER . 9.1 t-20 -165.42 -150.83 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.434 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.515 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 12.8 t . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.491 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.797 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.694 4.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.348 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 0 O4'-C1'-N19 110.807 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C1'-N19 111.267 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.805 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.495 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.647 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.408 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.764 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ASN . 63.9 mttp -87.93 127.11 35.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.971 . . . . 0.0 109.4 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m120 44.75 -169.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.04 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -139.37 -89.65 0.19 Allowed Glycine 0 N--CA 1.498 2.791 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -22.49 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.817 0.817 . . . . 0.0 111.827 -178.787 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 4' ' ' GLY . 98.1 mt-30 51.12 -137.57 1.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.444 ' ND2' ' OE2' ' A' ' 5' ' ' GLU . 63.8 m-20 49.97 44.62 25.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.525 -1.359 . . . . 0.0 109.339 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -130.0 76.16 0.41 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.09 12.49 0.36 Allowed 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.158 1.905 . . . . 0.0 111.714 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 8' ' ' GLY . 90.9 m -50.45 127.43 17.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.916 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m -130.07 139.34 50.98 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 32' ' ' LEU . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 52' ' ' LYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.635 ' CG1' HD21 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.5 t-20 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.586 HD22 ' ND2' ' A' ' 14' ' ' ASN . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.635 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -78.46 -163.19 0.42 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -149.21 126.15 11.24 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -93.48 125.43 38.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.025 -1.047 . . . . 0.0 109.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -145.35 155.01 42.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.041 -1.037 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.62 -1.17 15.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.928 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -63.22 -39.89 95.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.982 -1.074 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.507 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.435 3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.95 5.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.165 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 0 O4'-C1'-N19 110.883 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 " H2'" ' H72' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.403 ' H72' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -40.27 94.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.816 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -89.15 41.93 1.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 0.0 109.002 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.43 133.96 46.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 50.96 -161.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -1.12 . . . . 0.0 109.848 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -61.37 145.01 53.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 110.173 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.22 -39.86 88.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.541 -0.724 . . . . 0.0 110.886 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.53 67.46 1.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 -161.11 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.934 2.423 . . . . 0.0 112.998 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.8 m -53.12 125.43 17.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 110.343 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -130.01 138.59 50.88 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.543 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 25' ' ' ARG . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 28' ' ' GLU . 7.3 t-20 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -73.78 -173.59 1.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -148.11 163.22 37.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.773 -0.58 . . . . 0.0 109.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.429 ' O ' ' ND2' ' A' ' 65' ' ' ASN . 19.5 t-20 -81.71 141.73 33.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.897 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.5 t -62.29 -131.99 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.432 -0.792 . . . . 0.0 109.697 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 68.37 -59.88 0.44 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 0.0 109.168 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' SER . 13.7 p30 -63.02 -40.04 96.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.465 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.426 ' OXT' ' OG ' ' A' ' 66' ' ' SER . 60.6 p . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.839 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 112.097 5.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.436 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.088 1 O4'-C1'-N19 111.363 4.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.376 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.366 4.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 C3'-C2'-C1' 107.193 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.74 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.447 3.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.103 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.533 3.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 52.18 45.35 28.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 108.608 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -66.72 -173.21 0.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.614 -0.679 . . . . 0.0 109.851 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.12 107.18 0.07 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.019 -1.633 . . . . 0.0 109.019 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.23 19.17 3.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -1.08 . . . . 0.0 109.443 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 53.36 56.96 6.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.773 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -61.62 -40.06 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.887 -1.133 . . . . 0.0 108.753 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.28 137.93 5.05 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.49 129.9 7.67 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.1 1.867 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -83.26 148.43 27.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.996 -1.065 . . . . 0.0 108.604 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -138.5 120.01 14.98 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.803 -1.185 . . . . 0.0 109.782 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.602 ' ND2' HD22 ' A' ' 32' ' ' LEU . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.535 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 HG13 ' A' ' 22' ' ' VAL . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -76.23 -170.43 1.44 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 61' ' ' ARG . 11.1 mtt-85 -142.84 -179.93 6.63 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -80.09 165.46 22.47 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.772 -1.205 . . . . 0.0 110.472 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.4 p -126.44 160.15 31.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.648 -0.658 . . . . 0.0 109.961 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.98 148.96 50.65 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.257 -0.902 . . . . 0.0 110.106 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 46.54 -115.15 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.79 . . . . 0.0 110.713 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.468 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.486 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.434 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . 0.439 H5'' ' H ' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.87 -113.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.088 -1.007 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -81.4 -66.43 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.062 -1.024 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.87 -108.3 3.15 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -150.97 -92.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 7' ' ' ASN . 74.2 mt-30 -71.85 -44.24 64.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.169 -0.957 . . . . 0.0 109.388 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 6' ' ' GLN . 5.3 m120 -173.35 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.55 -0.719 . . . . 0.0 109.255 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.93 174.94 16.27 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.83 47.81 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 0.0 111.728 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -57.99 119.82 7.44 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.581 -0.699 . . . . 0.0 109.346 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 84.8 m -138.94 132.31 30.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -75.34 -166.69 0.54 Allowed 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.34 154.45 43.03 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' H ' H5'' ' C' ' 122' ' ' ' DC' . 48.3 t30 -150.42 115.63 5.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.645 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -148.87 140.31 23.36 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.45 160.04 27.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.089 -1.007 . . . . 0.0 110.021 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -71.44 131.52 43.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.653 -0.654 . . . . 0.0 109.867 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.432 179.691 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.803 5.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.422 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.706 4.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.024 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C1'-N19 110.91 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.141 2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.454 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.573 3.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.46 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -63.05 -40.63 98.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.459 -0.776 . . . . 0.0 109.311 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -164.42 101.03 0.83 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.55 -0.719 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 113.61 1.53 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.64 -49.99 74.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.086 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.594 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 3.7 pm0 -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 -179.289 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -72.65 148.36 44.86 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.291 -0.88 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.26 97.63 0.48 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.33 148.76 3.02 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.884 1.723 . . . . 0.0 112.195 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -56.64 116.02 2.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.189 -0.944 . . . . 0.0 110.003 -178.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m -132.05 140.6 48.94 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.627 -0.671 . . . . 0.0 109.195 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.581 ' ND2' HD22 ' A' ' 32' ' ' LEU . 67.0 m-20 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.581 HD22 ' ND2' ' A' ' 14' ' ' ASN . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' LEU . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -74.25 179.92 4.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -148.4 162.02 40.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.651 -0.656 . . . . 0.0 109.465 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -82.13 146.05 29.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 109.819 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.2 p -70.23 -20.4 63.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.19 -0.944 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.1 140.01 53.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -73.13 147.69 44.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.308 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.432 179.369 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.891 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 C3'-C2'-C1' 107.013 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.449 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.449 ' H71' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.587 2.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.445 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.893 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 1 O4'-C1'-N19 111.189 4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.725 3.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 1 O4'-C1'-N19 111.501 4.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.4 ' N1 ' ' N3 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.617 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . 0.544 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.038 4.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.544 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.868 5.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.574 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.618 4.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -63.4 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.52 137.31 54.92 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -87.6 9.62 72.96 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . 43.3 mt-10 55.96 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -1.081 . . . . 0.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -58.12 -31.44 67.17 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.41 -178.659 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.504 ' O ' ' C ' ' A' ' 8' ' ' GLY . 56.1 t-20 -69.96 -54.43 13.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.979 -1.076 . . . . 0.0 109.552 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 7' ' ' ASN . . . -21.09 -65.51 0.01 OUTLIER Glycine 0 N--CA 1.506 3.326 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 -178.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 8' ' ' GLY . 53.7 Cg_exo -52.59 -136.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.542 2.161 . . . . 0.0 113.094 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 86.2 m -54.64 120.49 6.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 108.843 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ASN . 99.1 m -134.94 137.43 43.11 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.417 -0.802 . . . . 0.0 110.235 -179.096 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.505 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 10' ' ' THR . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.574 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.443 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 14' ' ' ASN . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.76 -168.71 1.28 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -149.92 167.52 26.41 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.14 131.17 35.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.04 -1.038 . . . . 0.0 109.235 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 t -64.11 135.04 56.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.153 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.58 39.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.295 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' CG ' ' H ' ' A' ' 66' ' ' SER . 66.9 t30 56.34 -130.16 1.81 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.471 -0.768 . . . . 0.0 109.156 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 2.2 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.643 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.457 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.506 0 C3'-C2'-C1' 107.007 3.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.573 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.867 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.334 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.67 135.48 33.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.118 -0.989 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -126.61 107.78 10.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.571 -0.705 . . . . 0.0 109.725 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.27 -116.2 1.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -141.33 145.85 35.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.302 -1.116 . . . . 0.0 109.874 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 8' ' ' GLY . 96.0 mt-30 -144.38 170.97 15.0 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -66.63 73.68 0.09 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.976 -1.078 . . . . 0.0 109.158 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -136.58 67.48 0.54 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -60.59 7.38 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.007 1.804 . . . . 0.0 112.583 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' GLY . 52.3 m -65.93 104.31 1.09 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -135.18 147.5 49.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.493 -0.754 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -70.14 163.09 27.05 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -150.02 160.05 43.93 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.156 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -87.56 99.98 12.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.374 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -92.86 -9.8 38.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.048 -1.032 . . . . 0.0 109.354 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.33 37.81 16.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 108.921 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -89.09 152.42 21.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.068 179.342 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.79 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 106.958 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.094 0 C3'-C2'-C1' 106.726 2.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.291 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.537 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.551 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.688 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.546 4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 52.2 39.37 26.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -139.23 -53.09 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -0.853 . . . . 0.0 109.193 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -58.76 4.28 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -84.79 131.76 34.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.335 -1.097 . . . . 0.0 109.798 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -96.81 -78.38 0.47 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 109.348 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 7' ' ' ASN . 50.1 p30 -141.75 11.27 2.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.487 -0.758 . . . . 0.0 109.601 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.85 155.73 7.84 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.35 71.4 5.85 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.383 2.055 . . . . 0.0 112.8 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.4 m -58.93 120.04 8.33 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.374 -0.829 . . . . 0.0 109.735 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m -135.47 138.52 43.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.443 -0.786 . . . . 0.0 109.883 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 22' ' ' VAL . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.626 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.626 ' N ' ' O ' ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 14' ' ' ASN . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.644 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -76.38 -164.26 0.38 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -146.41 159.97 42.69 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -147.2 51.51 1.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 109.324 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 31.4 t -152.96 156.72 39.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 0.0 109.26 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 64.65 102.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.176 -0.952 . . . . 0.0 108.908 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.1 t30 55.81 43.02 28.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.331 -0.856 . . . . 0.0 109.735 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.626 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.721 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 C3'-C2'-C1' 107.136 3.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.557 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 1 O4'-C1'-N19 111.668 4.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C1'-N19 110.568 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.463 ' OP1' ' CZ ' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.551 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.424 4.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.014 4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 mttp 52.34 37.71 23.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.414 -0.804 . . . . 0.0 109.695 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -148.39 82.11 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.056 -1.027 . . . . 0.0 109.597 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 46.11 49.66 13.67 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.371 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' A' ' 4' ' ' GLY . 57.1 mp0 53.53 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.456 -1.026 . . . . 0.0 110.085 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -65.36 141.24 58.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.895 -1.128 . . . . 0.0 109.66 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -135.3 150.85 50.09 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -155.82 80.08 0.18 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.25 -2.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 8' ' ' GLY . 95.9 m -49.97 126.36 14.12 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -127.12 132.94 50.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 48.7 m-20 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.465 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CZ ' ' OP1' ' C' ' 118' ' ' ' DC' . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -76.37 -171.6 1.84 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -145.77 155.28 42.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.719 . . . . 0.0 109.259 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.42 127.96 34.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.247 -0.908 . . . . 0.0 109.977 -179.421 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -100.16 120.02 39.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.396 -0.815 . . . . 0.0 109.324 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.03 108.83 3.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -80.96 -20.52 41.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.25 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.336 179.835 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.479 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.401 ' H62' ' CD2' ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.81 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.401 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.401 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -96.92 101.1 12.62 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.885 -1.134 . . . . 0.0 109.334 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -61.85 -41.7 98.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 109.107 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 -36.52 0.64 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 98.9 mt-10 -141.01 -65.85 0.43 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -1.013 . . . . 0.0 108.837 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' GLU . 13.0 tp60 82.85 -176.93 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.769 -0.582 . . . . 0.0 109.461 179.623 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.425 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 32.7 m120 -69.96 -23.72 63.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.006 . . . . 0.0 111.332 -178.684 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.97 74.14 0.45 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -178.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -89.52 144.42 4.68 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 123.245 2.63 . . . . 0.0 112.344 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -52.91 132.66 37.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -133.4 139.97 47.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.51 -0.744 . . . . 0.0 109.632 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.528 ' ND2' HD22 ' A' ' 32' ' ' LEU . 45.0 m-20 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD22 ' ND2' ' A' ' 14' ' ' ASN . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.444 HG23 ' OP1' ' C' ' 120' ' ' ' DA' . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -75.82 -168.77 0.94 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 61' ' ' ARG . 23.8 mtt-85 -145.9 164.62 31.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.212 -0.93 . . . . 0.0 109.78 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -142.64 118.68 10.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.314 -0.866 . . . . 0.0 109.228 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -144.02 167.27 22.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.292 -0.88 . . . . 0.0 108.989 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.42 93.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 0.0 109.072 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -86.83 -0.87 57.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 108.853 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.676 179.709 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.66 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C3'-C2'-C1' 107.145 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 112.048 5.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.433 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.812 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.435 4.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.683 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.434 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.573 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.405 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-N19 110.585 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -93.63 99.51 11.93 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.931 -1.105 . . . . 0.0 108.695 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 59.0 t-20 45.12 -114.74 0.44 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.424 -0.797 . . . . 0.0 110.122 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . -51.81 144.67 16.49 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 120.209 -0.996 . . . . 0.0 110.809 -178.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 1.7 pp20? -155.82 166.6 33.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.691 -0.888 . . . . 0.0 108.919 179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.531 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 71.0 tp60 -159.56 -51.13 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.839 -1.163 . . . . 0.0 109.795 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -162.21 178.55 8.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.946 . . . . 0.0 109.709 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.96 173.21 45.44 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.25 178.34 0.12 Allowed 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.607 2.205 . . . . 0.0 112.065 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.72 119.93 7.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.397 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -135.25 132.57 37.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.639 -0.663 . . . . 0.0 109.886 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.573 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 29.1 p-10 -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.683 HH21 ' P ' ' C' ' 119' ' ' ' DT' . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -76.64 -164.46 0.42 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.559 HH11 ' HG2' ' A' ' 61' ' ' ARG . 20.2 mtt-85 -147.51 170.69 16.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.527 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -80.48 137.27 36.45 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.127 -0.983 . . . . 0.0 108.836 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.8 t -69.5 131.51 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.733 -179.459 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.64 147.29 49.37 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -129.37 133.78 47.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 66' ' ' SER . 60.0 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.741 179.441 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.791 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.285 3.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.764 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.608 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 0 O4'-C1'-N19 110.523 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 111.194 4.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.497 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.371 4.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.234 0.54 . . . . 0.0 109.762 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 56.57 52.52 9.67 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.273 -0.892 . . . . 0.0 109.185 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -98.09 10.47 40.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.426 -0.796 . . . . 0.0 109.247 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -64.97 2.76 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -93.73 40.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.31 -1.112 . . . . 0.0 109.561 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -62.28 140.03 58.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.896 -1.128 . . . . 0.0 109.928 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -101.4 162.86 12.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 141.38 -50.41 0.73 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 74.3 Cg_exo -49.38 162.2 0.58 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.681 2.254 . . . . 0.0 112.966 -179.287 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 11' ' ' THR . 3.5 m -81.97 163.78 21.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.524 -0.735 . . . . 0.0 109.391 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 10' ' ' THR . 91.3 m -135.0 141.0 46.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.13 -0.981 . . . . 0.0 110.0 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' CYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 20' ' ' THR . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.497 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 28.0 p-10 -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -77.54 -166.32 0.74 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm-85 -146.67 149.71 34.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -88.42 132.7 34.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -86.12 45.4 1.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 0.0 110.058 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 52.97 27.69 5.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.123 -0.986 . . . . 0.0 108.943 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -159.74 138.06 10.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.431 -0.793 . . . . 0.0 109.101 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.123 -0.942 . . . . 0.0 108.944 179.597 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.761 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.481 0 C3'-C2'-C1' 107.074 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.612 3.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 1 O4'-C1'-N19 112.043 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.526 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C1'-N19 111.656 4.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.724 3.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.324 4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.584 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.595 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.817 3.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 50.01 -142.81 0.6 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.966 -1.084 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -145.07 99.88 3.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 109.763 -179.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -80.16 44.22 2.8 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 4' ' ' GLY . 97.7 mt-10 54.54 154.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.872 0.844 . . . . 0.0 110.289 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 28.5 mm100 -101.18 -38.69 8.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 91.2 m-20 -148.98 100.46 3.07 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . 43.56 -165.48 0.03 OUTLIER Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.45 -170.64 0.92 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.321 2.014 . . . . 0.0 111.745 179.621 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -61.15 108.43 0.9 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.168 -0.958 . . . . 0.0 108.86 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m -136.32 133.12 36.54 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.588 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.73 175.11 6.74 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -140.48 139.05 35.07 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.365 -179.564 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -94.35 118.94 32.37 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -140.7 -15.41 0.92 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.49 91.55 5.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -0.775 . . . . 0.0 109.397 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -152.45 136.48 16.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.395 -0.816 . . . . 0.0 109.606 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.349 -179.939 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.525 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.946 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.944 5.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.225 0 O4'-C1'-N19 110.364 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.757 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.463 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.548 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.418 3.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 1 O4'-C1'-N19 111.016 4.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.54 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.336 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.533 ' C ' ' H ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 61.19 1.1 0.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.054 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 1' ' ' MET . 84.8 m-20 -97.39 72.45 2.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.807 . . . . 0.0 108.89 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -60.82 -43.48 99.17 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 26.8 tp10 39.95 -130.33 0.32 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.803 -0.822 . . . . 0.0 109.452 -179.57 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -104.54 118.32 36.31 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -151.62 139.54 19.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.14 -0.975 . . . . 0.0 109.01 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 139.81 -41.0 1.35 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.626 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 62.5 Cg_exo -52.75 151.17 20.29 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.252 1.968 . . . . 0.0 112.723 -179.398 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 11' ' ' THR . 1.7 m -81.16 168.76 18.2 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.499 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.462 ' N ' ' CG2' ' A' ' 10' ' ' THR . 99.6 m -129.11 138.06 51.6 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.07 -1.019 . . . . 0.0 109.863 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' ND2' HD22 ' A' ' 32' ' ' LEU . 32.9 m-20 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.406 ' CE2' ' HB ' ' A' ' 10' ' ' THR . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.0 t-20 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.625 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD22 ' ND2' ' A' ' 14' ' ' ASN . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.435 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 28.8 p-10 -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' C ' ' N ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 55' ' ' VAL . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.04 -173.04 1.16 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.3 OUTLIER -139.85 156.38 46.75 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.769 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' ARG . 80.6 m-20 -149.72 26.92 0.82 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.989 -1.069 . . . . 0.0 109.055 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -64.1 -42.05 97.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.562 -0.711 . . . . 0.0 109.895 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.41 121.18 27.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 66' ' ' SER . 20.6 t-20 54.68 -121.27 1.77 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.827 . . . . 0.0 109.706 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 29.0 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.31 -179.657 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.424 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.277 5.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.6 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.294 4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.531 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.295 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.417 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.57 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 1 O4'-C1'-N19 111.848 5.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.35 143.79 53.65 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -81.84 109.43 16.21 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 110.104 -179.039 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -169.47 32.22 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.084 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.13 153.16 45.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 108.877 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.652 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.2 pm0 -89.55 -7.36 55.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.973 -1.079 . . . . 0.0 108.966 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -84.65 77.83 9.97 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -100.79 -174.33 29.36 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 179.535 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.51 4.96 0.29 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 121.832 1.688 . . . . 0.0 110.984 179.263 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 8' ' ' GLY . 43.6 m -69.84 103.02 2.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.838 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -136.32 144.46 44.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.682 -0.636 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.517 ' O ' HD13 ' A' ' 49' ' ' LEU . 71.1 m-20 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.57 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 27.4 p-10 -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 42' ' ' LEU . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 14' ' ' ASN . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -75.67 -171.43 1.56 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -151.45 159.53 44.16 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.217 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -84.17 156.99 21.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 m -68.22 113.67 6.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.75 -1.32 40.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.892 . . . . 0.0 109.82 -179.676 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -144.77 151.64 39.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.068 -1.02 . . . . 0.0 108.987 179.694 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.014 -1.054 . . . . 0.0 109.505 -179.847 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.802 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.464 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.603 4.754 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.464 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.465 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.479 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.444 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.849 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.516 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.186 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.4 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -135.57 158.8 43.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 109.336 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -52.72 144.49 14.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.251 -0.906 . . . . 0.0 109.124 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 161.03 -36.09 0.41 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 7' ' ' ASN . 87.8 tt0 59.3 -80.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.592 -0.946 . . . . 0.0 108.866 -179.56 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLY . 23.1 mt-30 51.21 31.79 7.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.222 -0.924 . . . . 0.0 110.082 179.266 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 7.0 p30 42.95 20.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.285 -0.885 . . . . 0.0 110.274 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 10' ' ' THR . . . 129.16 171.79 13.03 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.742 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.21 23.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.757 2.305 . . . . 0.0 111.749 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.578 ' H ' ' C ' ' A' ' 8' ' ' GLY . 40.1 m -57.8 116.62 3.56 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.472 0.653 . . . . 0.0 110.146 -179.176 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m -138.95 128.71 24.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -0.769 . . . . 0.0 109.228 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' ND2' HD22 ' A' ' 32' ' ' LEU . 50.8 m-20 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.489 HD22 ' ND2' ' A' ' 14' ' ' ASN . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.419 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -71.62 -175.31 1.3 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -148.14 -174.15 4.5 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 HD21 ' HA ' ' A' ' 62' ' ' ASN . 10.5 m120 -77.87 142.92 38.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.052 -1.03 . . . . 0.0 109.306 -179.913 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 84.5 p -89.87 174.07 7.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.538 -0.726 . . . . 0.0 110.556 -178.72 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 70.01 31.42 3.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.82 -0.55 . . . . 0.0 110.181 179.592 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -65.18 -24.06 67.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.005 179.303 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.941 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.687 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 C3'-C2'-C1' 106.821 2.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.706 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 0 O4'-C1'-N19 110.659 3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . 0.509 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.151 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.529 3.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 1' ' ' MET . 13.1 tmm? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -80.22 -98.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 108.82 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.02 -36.35 75.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.106 -0.996 . . . . 0.0 109.304 179.395 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.48 -42.19 0.1 OUTLIER Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 162.95 37.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.156 -1.203 . . . . 0.0 109.635 -179.503 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' ASN . 78.5 mt-30 -132.09 141.54 49.21 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.479 -0.763 . . . . 0.0 109.529 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 58.7 t30 39.98 -154.48 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.715 -0.616 . . . . 0.0 110.41 179.461 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 52.63 83.28 0.04 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -40.91 147.76 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.382 2.055 . . . . 0.0 112.308 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 m -64.16 98.04 0.21 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.969 -179.389 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -127.62 136.37 51.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' O ' HD13 ' A' ' 49' ' ' LEU . 7.2 m120 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.477 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 HH11 HD23 ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' ASN . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -75.07 -176.09 2.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -145.88 159.71 42.83 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -153.79 118.4 4.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.318 -0.864 . . . . 0.0 109.332 179.678 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.1 p -148.91 164.67 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.163 -0.961 . . . . 0.0 109.69 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.81 147.26 37.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.938 . . . . 0.0 110.008 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.12 119.97 39.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.414 -0.804 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.025 -1.047 . . . . 0.0 109.569 179.797 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 101' ' ' ' DC' . . . . . 0.734 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.43 4.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.089 4.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.8 3.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 118' ' ' ' DC' . . . . . 0.558 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.296 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.559 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 112.21 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.297 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.515 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -67.38 -39.76 85.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.109 -0.994 . . . . 0.0 109.776 178.962 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -133.48 -11.08 2.8 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -76.57 -38.0 33.76 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.6 tt0 36.52 -94.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.978 -0.719 . . . . 0.0 110.976 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' GLY . 93.9 mt-30 -74.14 128.42 35.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.804 -1.185 . . . . 0.0 109.625 -179.828 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 50.2 p30 -124.01 -20.55 5.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 179.591 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -77.64 124.45 6.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.642 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.3 12.26 2.38 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.782 1.655 . . . . 0.0 112.102 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 103.42 0.3 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -128.57 136.96 51.45 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.579 ' O ' HD13 ' A' ' 49' ' ' LEU . 35.4 m-20 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.429 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.668 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' NE2' ' HB3' ' A' ' 28' ' ' GLU . 1.9 mp0 -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.559 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 25.4 p-10 -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.614 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.614 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 27.7 m-70 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 14' ' ' ASN . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -75.16 -168.06 0.72 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -152.56 159.88 43.25 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.195 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -94.12 131.17 39.92 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.316 -0.865 . . . . 0.0 109.913 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -132.41 119.11 20.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.297 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.82 -65.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.392 -0.818 . . . . 0.0 109.112 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 50.39 46.72 24.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.335 -0.853 . . . . 0.0 109.752 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.317 179.279 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.268 0.556 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.405 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.405 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.695 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.618 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.465 ' N ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.513 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m . . . . . 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.464 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.5 m120 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.727 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.706 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.616 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 14' ' ' ASN . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' OD1' HD22 ' A' ' 32' ' ' LEU . 4.5 m120 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 38' ' ' LEU . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.81 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.81 ' H ' HD22 ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' OD1' ' A' ' 14' ' ' ASN . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 N--CA 1.495 1.799 0 CA-C-O 121.349 0.595 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD13 ' A' ' 49' ' ' LEU . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.584 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.584 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.758 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.2 t30 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.758 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 25.9 m-80 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 14' ' ' ASN . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.073 0.463 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.484 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD21 ' A' ' 38' ' ' LEU . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.806 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.4 t30 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.806 ' H ' HD22 ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.747 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.648 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.473 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 16' ' ' PHE . 8.3 m . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.475 ' ND2' HD22 ' A' ' 32' ' ' LEU . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.773 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 38.9 m-80 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.574 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' HG2' HH11 ' A' ' 25' ' ' ARG . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG2' HH11 ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.5 m120 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 121.292 0.568 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.698 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m . . . . . 0 N--CA 1.5 2.039 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 m120 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.602 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' OD1' ' A' ' 14' ' ' ASN . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.747 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.673 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 14' ' ' ASN . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 . . . . . 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.187 0.518 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' HD22 ' A' ' 32' ' ' LEU . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' HH11 ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 3.4 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' ND2' ' A' ' 14' ' ' ASN . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 . . . . . 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.819 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.6 t30 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.819 ' H ' HD22 ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 14' ' ' ASN . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m . . . . . 0 N--CA 1.498 1.943 0 CA-C-O 121.35 0.595 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.541 ' ND2' HD22 ' A' ' 32' ' ' LEU . 64.7 m-20 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' H ' ' C ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.541 HD22 ' ND2' ' A' ' 14' ' ' ASN . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.495 1.818 0 CA-C-O 121.264 0.554 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.446 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.449 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.2 t30 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.736 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.609 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 . . . . . 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.685 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' VAL . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 53' ' ' THR . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.494 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.4 m120 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 ' OG1' ' NZ ' ' A' ' 52' ' ' LYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.788 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.483 ' HG2' HH11 ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD22 ' OD1' ' A' ' 14' ' ' ASN . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.788 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 21.6 m-80 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' PRO . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 14' ' ' ASN . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 . . . . . 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.498 ' OG1' ' ND2' ' A' ' 34' ' ' ASN . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.771 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.771 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 27.4 m-80 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 . . . . . 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m . . . . . 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 32' ' ' LEU . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 52' ' ' LYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.635 ' CG1' HD21 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.4 t30 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 26.8 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.586 HD22 ' ND2' ' A' ' 14' ' ' ASN . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.635 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 . . . . . 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' OG1' ' CE ' ' A' ' 52' ' ' LYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' HG2' HH11 ' A' ' 25' ' ' ARG . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.4 t30 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.533 ' HG2' HH11 ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 N--CA 1.5 2.041 0 CA-C-O 121.346 0.594 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.602 ' ND2' HD22 ' A' ' 32' ' ' LEU . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 HG13 ' A' ' 22' ' ' VAL . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 48' ' ' PRO . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 . . . . . 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' NE2' ' A' ' 18' ' ' GLN . 84.8 m . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.242 0.544 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.588 ' HG ' ' HG1' ' A' ' 17' ' ' THR . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.588 ' HG1' ' HG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.537 ' NE2' HG23 ' A' ' 11' ' ' THR . 84.7 mm-40 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 . . . . . 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 N--CA 1.496 1.853 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.431 ' OD1' HD22 ' A' ' 32' ' ' LEU . 4.0 m120 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 ' OD1' ' A' ' 14' ' ' ASN . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' LEU . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 121.254 0.55 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.556 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.487 HH11 ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 14' ' ' ASN . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 121.497 0.665 . . . . 0.0 109.816 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.074 0.464 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 19' ' ' THR . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 22' ' ' VAL . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.69 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.1 t30 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.69 ' H ' HD22 ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 14' ' ' ASN . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.644 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' NE ' ' CZ ' ' A' ' 39' ' ' PHE . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.65 ' N ' HD22 ' A' ' 60' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 121.359 0.6 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.618 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 48' ' ' PRO . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.415 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 . . . . . 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' HD22 ' A' ' 14' ' ' ASN . 2.0 m120 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.667 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' A' ' 47' ' ' ARG . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 N--CA 1.499 2.004 0 CA-C-O 121.26 0.553 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' CYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 20' ' ' THR . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.611 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.74 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.691 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 . . . . . 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 . . . . . 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 N--CA 1.502 2.138 0 CA-C-O 121.115 0.483 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' OD1' HD22 ' A' ' 32' ' ' LEU . 2.2 m120 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.835 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.3 t30 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.835 ' H ' HD22 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' OD1' ' A' ' 14' ' ' ASN . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.764 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.682 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' C ' ' N ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 55' ' ' VAL . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.433 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 . . . . . 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m . . . . . 0 N--CA 1.494 1.75 0 CA-C-O 121.371 0.605 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.517 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.675 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 42' ' ' LEU . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 14' ' ' ASN . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.417 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.419 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' HD22 ' A' ' 32' ' ' LEU . 94.2 m-20 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.515 HD22 ' ND2' ' A' ' 14' ' ' ASN . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.484 HH11 HD23 ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' ASN . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.579 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.3 m120 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.668 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' A' ' 30' ' ' GLN . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' NE2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.789 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.64 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 41.3 m80 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 14' ' ' ASN . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.4 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.769 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.629 3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.918 1 O4'-C1'-N19 111.788 4.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.449 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.542 3.861 0 O4'-C1'-N19 110.823 3.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.226 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 O4'-C1'-N19 110.653 3.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 1 O4'-C1'-N19 111.048 4.06 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 0 O4'-C1'-N19 110.436 3.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 1 O4'-C1'-N19 111.403 4.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.135 4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.681 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.939 3.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.982 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.241 3.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.449 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.559 1 O4'-C1'-N19 111.064 4.079 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.723 1 O4'-C1'-N19 111.424 4.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 C3'-C2'-C1' 106.922 3.016 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.228 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.938 3.922 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.053 0 O4'-C1'-N19 110.57 3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -60.41 -40.3 90.48 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.925 -1.109 . . . . 0.0 110.082 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -85.21 145.7 27.45 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.964 -1.085 . . . . 0.0 109.676 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.26 -24.17 64.14 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HG2' ' H ' ' A' ' 7' ' ' ASN . 83.2 tt0 -143.7 147.59 34.48 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.979 -1.306 . . . . 0.0 108.567 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.472 ' O ' ' O ' ' A' ' 7' ' ' ASN . 95.7 mm-40 -71.91 -21.36 61.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.93 -1.106 . . . . 0.0 110.424 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' H ' ' HG2' ' A' ' 5' ' ' GLU . 23.2 t-20 -45.09 174.04 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.353 -0.842 . . . . 0.0 110.164 -179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 164.56 168.31 26.47 Favored Glycine 0 N--CA 1.488 2.113 0 N-CA-C 109.178 -1.569 . . . . 0.0 109.178 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -80.1 -6.35 13.96 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.26 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 83.3 m -59.98 119.95 8.73 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.586 0.708 . . . . 0.0 110.594 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.6 m -139.14 137.75 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.625 -0.672 . . . . 0.0 109.806 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.3 t -69.53 110.68 4.91 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.327 -0.858 . . . . 0.0 109.875 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.3 p -67.01 -11.85 58.19 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.626 -0.671 . . . . 0.0 110.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -96.96 -32.36 12.07 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.997 -1.064 . . . . 0.0 110.774 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.6 p -139.15 13.39 2.62 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 120.812 -1.18 . . . . 0.0 110.895 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 57.37 1.57 0.11 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.156 -0.965 . . . . 0.0 112.01 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.3 m -58.4 121.03 9.86 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.469 -1.394 . . . . 0.0 109.606 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -98.9 -1.3 40.43 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.563 -0.711 . . . . 0.0 109.491 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.0 m -120.79 129.93 53.79 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.506 -0.746 . . . . 0.0 109.47 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -166.18 149.76 6.79 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 121.114 -0.991 . . . . 0.0 109.834 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.81 -23.21 55.66 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.11 1.873 . . . . 0.0 111.978 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.82 143.6 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.184 -0.947 . . . . 0.0 110.174 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -93.75 132.4 38.17 Favored 'General case' 0 N--CA 1.494 1.742 0 CA-C-O 121.843 0.83 . . . . 0.0 110.605 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -102.91 170.9 7.7 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.529 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.3 OUTLIER -133.57 159.83 39.28 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.462 -0.774 . . . . 0.0 109.004 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.0 t-20 -125.17 148.11 59.46 Favored Pre-proline 0 N--CA 1.496 1.865 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.21 -1.07 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.608 1.539 . . . . 0.0 112.131 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.3 mm-40 -99.36 -18.0 17.73 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.125 -0.984 . . . . 0.0 108.385 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.33 9.88 64.6 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 110.36 -1.096 . . . . 0.0 110.36 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -86.76 138.09 33.45 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.039 -1.271 . . . . 0.0 108.845 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.34 141.26 38.56 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.01 1.807 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.7 mt -139.47 146.0 39.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.614 -0.679 . . . . 0.0 109.188 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.47 179.39 4.67 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.001 -1.062 . . . . 0.0 108.376 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.695 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.47 -40.24 77.22 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.748 -1.22 . . . . 0.0 110.589 -178.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.25 -53.74 44.34 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.786 -1.196 . . . . 0.0 111.47 -179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -57.0 -42.53 80.48 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 120.436 -1.415 . . . . 0.0 109.498 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.46 -48.97 83.55 Favored Glycine 0 N--CA 1.488 2.135 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -68.47 -49.04 62.72 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -1.178 . . . . 0.0 110.367 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 58.9 t80 -69.9 -52.12 27.36 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.161 -0.962 . . . . 0.0 111.807 -178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.03 -48.46 81.64 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.08 -1.012 . . . . 0.0 110.346 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -61.65 -45.67 93.03 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.043 -1.036 . . . . 0.0 110.344 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.03 -39.98 75.45 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.177 -0.952 . . . . 0.0 110.426 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.0 m80 -84.26 -44.57 13.73 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.958 -1.089 . . . . 0.0 111.883 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.66 7.42 69.29 Favored Glycine 0 N--CA 1.491 2.329 0 O-C-N 120.435 -1.415 . . . . 0.0 111.191 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.5 m -141.17 144.54 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 O-C-N 120.748 -1.443 . . . . 0.0 110.409 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.1 m -55.66 147.31 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 CA-C-O 121.929 0.871 . . . . 0.0 110.578 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' PRO . 7.0 tpp180 -147.6 133.86 9.74 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 107.132 -1.432 . . . . 0.0 107.132 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ARG . 29.1 Cg_exo -31.45 103.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.49 1.278 0 C-N-CA 122.21 1.94 . . . . 0.0 113.138 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' C ' ' N ' ' A' ' 51' ' ' LEU . 93.3 mt -60.02 -12.91 9.21 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.3 t -54.18 -8.29 0.19 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.465 ' N ' ' C ' ' A' ' 49' ' ' LEU . 20.1 mt -75.44 -40.04 58.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.513 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.9 tmtm? -45.97 156.72 0.14 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.596 -0.69 . . . . 0.0 110.063 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.513 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -147.61 163.26 37.18 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -92.18 0.62 57.46 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.44 135.18 58.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -110.45 130.02 64.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.481 -0.762 . . . . 0.0 109.523 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -79.98 130.03 34.96 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -84.66 123.21 30.1 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -94.26 175.65 6.61 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.018 -1.051 . . . . 0.0 109.357 -178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -76.71 -173.6 2.67 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.399 -0.813 . . . . 0.0 110.49 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -139.98 133.59 30.29 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.675 -0.641 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -157.65 132.53 8.66 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.199 -0.938 . . . . 0.0 109.564 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.1 m -60.25 139.98 57.29 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.322 -0.861 . . . . 0.0 109.891 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.01 88.03 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -155.6 160.89 40.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.478 -0.764 . . . . 0.0 109.288 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 117.871 -1.062 . . . . 0.0 109.522 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.4 " O5'" ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.755 0 O4'-C1'-N19 110.35 3.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.088 0 O4'-C1'-N19 110.74 3.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.775 1 O4'-C1'-N19 111.319 4.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.422 ' O4 ' ' N4 ' ' C' ' 122' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.534 2.924 0 O4'-C1'-N19 110.738 3.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.189 1 O4'-C1'-N19 111.779 4.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.542 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.312 0 O4'-C1'-N19 110.749 3.687 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.854 5.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.72 3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.998 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.78 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.722 1 O4'-C1'-N19 111.251 4.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.595 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.865 3.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.526 3.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.542 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.252 4.315 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.422 ' N4 ' ' O4 ' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.911 0 C3'-C2'-C1' 106.969 3.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 0 O4'-C1'-N19 110.976 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.141 0 O4'-C1'-N19 110.789 3.736 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.713 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.498 0 O4'-C1'-N19 110.774 3.717 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LYS . 24.3 ttt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 50.3 mtmt 53.07 175.96 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' LYS . 13.3 p30 41.11 -160.99 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.644 . . . . 0.0 110.624 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 146.5 50.38 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.781 -1.328 . . . . 0.0 109.781 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 7' ' ' ASN . 13.4 pt-20 -165.26 -130.78 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.243 -1.151 . . . . 0.0 109.325 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' GLU . 90.4 mt-30 29.49 -90.9 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.159 0 CA-C-O 121.233 0.54 . . . . 0.0 111.45 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 5' ' ' GLU . 44.3 t30 68.53 -44.67 0.52 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.751 -0.593 . . . . 0.0 109.746 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 6' ' ' GLN . . . -175.42 105.34 0.2 Allowed Glycine 0 N--CA 1.489 2.225 0 N-CA-C 108.091 -2.004 . . . . 0.0 108.091 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -42.68 95.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.772 1.648 . . . . 0.0 112.965 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 m -57.44 121.78 11.05 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 121.369 0.604 . . . . 0.0 109.462 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.8 m -129.57 135.8 49.03 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.6 t -65.88 110.75 2.98 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.992 -1.068 . . . . 0.0 109.652 -179.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.5 p -64.72 -11.25 34.1 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.65 -0.656 . . . . 0.0 110.232 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.464 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.5 m120 -101.17 -34.9 9.5 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.091 -1.006 . . . . 0.0 110.161 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.562 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.1 p -140.47 19.9 2.38 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.793 -1.192 . . . . 0.0 110.711 -178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 46.61 6.69 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 15' ' ' CYS . 15.6 m -56.12 130.04 42.51 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.028 -1.67 . . . . 0.0 109.648 -179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.1 pm0 -102.89 -16.53 15.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.531 -0.731 . . . . 0.0 109.8 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.0 m -104.09 123.82 47.95 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.353 -0.842 . . . . 0.0 109.206 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.5 t -163.49 144.1 7.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 O-C-N 120.895 -1.128 . . . . 0.0 110.158 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.11 -18.65 39.96 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.417 2.078 . . . . 0.0 111.094 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.78 141.57 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-O 121.951 0.881 . . . . 0.0 110.271 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -91.4 130.31 37.26 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-O 121.719 0.771 . . . . 0.0 110.796 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -104.54 173.25 6.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -142.58 168.46 19.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.201 -0.937 . . . . 0.0 109.349 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.604 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.5 t-20 -117.35 144.41 33.9 Favored Pre-proline 0 N--CA 1.498 1.928 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -42.32 -6.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 122.229 1.953 . . . . 0.0 113.648 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -98.64 -2.05 39.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.808 -1.182 . . . . 0.0 109.083 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.3 7.34 73.09 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -82.08 142.59 48.08 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 120.929 -1.336 . . . . 0.0 108.907 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -79.43 146.21 19.28 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 122.072 1.848 . . . . 0.0 112.165 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -141.35 149.99 41.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.432 -0.792 . . . . 0.0 109.548 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -75.12 -175.87 2.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.849 -1.157 . . . . 0.0 108.695 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.727 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -67.06 -47.49 71.15 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.014 -1.054 . . . . 0.0 112.232 -178.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.706 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.64 -48.91 73.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.751 -1.218 . . . . 0.0 112.124 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.9 m -57.88 -40.8 81.12 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.82 -1.175 . . . . 0.0 110.791 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.57 -46.56 54.43 Favored Glycine 0 N--CA 1.489 2.218 0 C-N-CA 119.805 -1.188 . . . . 0.0 110.667 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.3 -49.93 65.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.164 -1.197 . . . . 0.0 111.308 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.1 t80 -70.05 -47.46 61.92 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.834 -1.166 . . . . 0.0 111.502 -177.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.67 -49.2 78.49 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.08 -1.013 . . . . 0.0 110.305 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -61.82 -44.02 97.69 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.193 -0.942 . . . . 0.0 110.215 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.1 -40.01 75.19 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.301 -0.874 . . . . 0.0 111.071 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.646 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.6 m80 -87.36 -37.1 17.4 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.798 -1.189 . . . . 0.0 111.034 -178.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.76 7.91 66.69 Favored Glycine 0 N--CA 1.492 2.387 0 O-C-N 120.702 -1.249 . . . . 0.0 111.124 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -138.89 141.21 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.955 -1.321 . . . . 0.0 110.412 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.5 m -59.46 151.11 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-O 121.646 0.736 . . . . 0.0 110.29 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.616 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -152.48 137.59 11.04 Favored Pre-proline 0 N--CA 1.491 1.592 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.5 Cg_exo -30.48 106.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.219 0 C-N-CA 122.566 2.177 . . . . 0.0 113.716 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 14' ' ' ASN . 92.3 mt -60.46 -10.65 5.22 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -58.64 -9.3 1.62 Allowed 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.8 mt -74.61 -39.74 61.98 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -48.01 157.65 0.28 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.588 -0.695 . . . . 0.0 109.556 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.26 169.48 21.25 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.309 -0.869 . . . . 0.0 108.938 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -94.09 -0.1 55.56 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.964 -1.085 . . . . 0.0 109.156 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.7 t -110.85 130.23 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.14 129.99 64.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.539 -0.726 . . . . 0.0 109.908 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -80.83 125.64 30.34 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.404 -0.81 . . . . 0.0 109.095 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -86.45 128.84 35.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.329 -0.857 . . . . 0.0 109.213 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' HG3' HH11 ' A' ' 59' ' ' ARG . 21.2 mmm-85 -99.74 177.92 4.99 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.176 -0.953 . . . . 0.0 109.428 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -77.79 -168.9 1.34 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.315 -0.866 . . . . 0.0 110.1 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -146.0 149.24 33.77 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.302 -0.874 . . . . 0.0 109.585 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -86.04 146.8 26.48 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.278 -0.889 . . . . 0.0 109.819 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.7 t -132.43 130.67 40.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.21 161.03 21.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.114 -0.992 . . . . 0.0 109.734 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -84.49 167.44 16.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 109.772 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.695 -179.812 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.904 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 2.053 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.746 0 O4'-C1'-N19 110.845 3.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 1 O4'-C1'-N19 111.277 4.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 O4'-C1'-N19 110.125 2.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.077 0 C3'-C2'-C1' 106.993 3.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.788 1 O4'-C1'-N19 111.535 4.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.127 0 O4'-C1'-N19 110.375 3.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 0 O4'-C1'-N19 110.662 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 0 O4'-C1'-N19 110.736 3.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.368 1 O4'-C1'-N19 111.353 4.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 1 O4'-C1'-N19 111.563 4.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.578 4.722 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.639 1 O4'-C1'-N19 111.077 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.573 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 C3'-C2'-C1' 107.187 3.205 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.711 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.804 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.18 1 O4'-C1'-N19 111.155 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.686 1 O4'-C1'-N19 111.44 4.55 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.235 1 O4'-C1'-N19 111.286 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.537 " O3'" ' ND2' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.541 3.789 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 1 O4'-C1'-N19 111.196 4.245 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.688 1 O4'-C1'-N19 111.055 4.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.328 0 O4'-C1'-N19 110.712 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.664 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.67 -39.41 94.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.546 -0.721 . . . . 0.0 109.435 178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -93.97 140.18 30.02 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.251 -0.905 . . . . 0.0 110.388 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.72 -163.38 53.52 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.132 -1.187 . . . . 0.0 110.132 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -155.46 164.45 38.68 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 57.35 58.82 3.64 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.793 -1.192 . . . . 0.0 109.018 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -60.41 -40.96 92.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.417 -0.802 . . . . 0.0 109.594 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.23 -179.86 36.22 Favored Glycine 0 N--CA 1.497 2.7 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -46.95 113.09 0.6 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 123.462 2.775 . . . . 0.0 113.079 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.5 m -53.05 111.97 0.77 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.147 -0.97 . . . . 0.0 109.452 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.3 m -135.12 129.04 33.27 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.1 t -60.57 110.61 1.33 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.076 -1.015 . . . . 0.0 110.783 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 p -65.77 -10.93 41.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -0.837 . . . . 0.0 111.204 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' OD1' HD22 ' A' ' 32' ' ' LEU . 4.5 m120 -99.59 -31.79 11.42 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 120.875 -1.141 . . . . 0.0 110.205 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.554 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 7.5 p -142.14 21.05 2.09 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.004 -1.06 . . . . 0.0 110.485 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.2 p90 45.8 6.86 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.351 -0.843 . . . . 0.0 113.177 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 15' ' ' CYS . 5.8 m -55.45 123.75 14.93 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.234 -1.541 . . . . 0.0 109.721 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -101.11 -13.24 18.26 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.5 m -108.64 121.54 45.23 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.41 -0.806 . . . . 0.0 109.256 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.3 t -161.89 147.62 10.57 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.12 -0.988 . . . . 0.0 110.206 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.52 -26.33 28.82 Favored 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 122.748 2.299 . . . . 0.0 112.414 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -159.63 138.32 2.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.374 -0.829 . . . . 0.0 109.59 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -88.21 132.98 34.15 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.137 -0.977 . . . . 0.0 111.088 -178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.47 ' NH2' HD21 ' A' ' 38' ' ' LEU . 23.3 mmt180 -102.94 172.0 7.07 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.527 HH11 ' HG2' ' A' ' 25' ' ' ARG . 19.1 mtt-85 -138.95 159.98 40.85 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.81 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.7 t30 -125.15 144.81 48.49 Favored Pre-proline 0 N--CA 1.497 1.899 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.11 -2.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.758 0 C-N-CA 122.579 2.186 . . . . 0.0 114.528 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.81 ' H ' HD22 ' A' ' 26' ' ' ASN . 78.2 mm-40 -99.53 -13.6 19.4 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.594 -1.316 . . . . 0.0 108.949 179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.4 8.76 70.6 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -85.61 147.43 46.45 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 120.909 -1.347 . . . . 0.0 108.485 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -81.55 137.32 10.2 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.355 2.036 . . . . 0.0 112.782 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD22 ' OD1' ' A' ' 14' ' ' ASN . 74.3 mt -136.67 148.51 47.42 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.687 -0.633 . . . . 0.0 109.528 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -74.76 -177.97 3.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.854 -1.154 . . . . 0.0 108.515 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.427 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 31.4 p-10 -69.84 -41.21 75.21 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.095 -1.003 . . . . 0.0 111.777 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.13 -50.79 64.68 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.431 -1.418 . . . . 0.0 111.894 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.1 m -60.19 -48.45 81.66 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.333 -1.479 . . . . 0.0 110.474 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.07 -50.02 72.03 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.6 mt -65.64 -49.72 67.64 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.524 -0.986 . . . . 0.0 111.793 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.558 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.4 t80 -70.95 -45.31 64.39 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.601 -1.312 . . . . 0.0 111.863 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.3 tp -60.3 -47.99 83.64 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.062 -177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -64.51 -43.94 92.51 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -68.22 -40.48 82.09 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.762 -1.211 . . . . 0.0 110.61 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 56.7 m80 -86.96 -36.82 18.08 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.663 -1.273 . . . . 0.0 111.067 -178.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.77 8.52 68.19 Favored Glycine 0 N--CA 1.491 2.358 0 O-C-N 120.658 -1.276 . . . . 0.0 111.048 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.7 m -140.46 143.23 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.849 -1.383 . . . . 0.0 110.855 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.7 m -55.73 148.86 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 CA-C-O 121.738 0.78 . . . . 0.0 110.327 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.4 tpt180 -145.68 134.35 10.97 Favored Pre-proline 0 N--CA 1.489 1.492 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' SER . 49.3 Cg_exo -35.91 106.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.314 -1.249 0 C-N-CA 122.009 1.806 . . . . 0.0 112.858 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -59.92 -6.1 1.19 Allowed 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' PRO . 31.3 m -59.37 -10.0 2.79 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.599 -0.688 . . . . 0.0 109.144 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -73.75 -31.67 63.45 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 36.9 tptt -44.39 145.87 0.77 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-O 122.155 0.979 . . . . 0.0 110.489 -179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.427 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -145.88 162.27 38.11 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 177.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -91.83 -1.68 57.24 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.3 t -112.26 131.63 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 94.2 mt -110.04 133.87 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -76.39 121.54 23.18 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.243 -0.911 . . . . 0.0 110.385 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -84.3 125.43 32.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.614 -0.678 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -98.88 176.23 5.67 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.15 -0.969 . . . . 0.0 109.586 -178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -76.09 -172.92 2.18 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.072 -1.017 . . . . 0.0 110.323 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -144.22 168.65 19.55 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.444 -0.785 . . . . 0.0 109.407 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.537 ' ND2' " O3'" ' C' ' 122' ' ' ' DC' . 95.3 m-20 -76.66 148.09 37.09 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.308 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.426 ' OG ' ' OD1' ' A' ' 65' ' ' ASN . 93.5 p -68.04 151.14 47.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.092 -1.005 . . . . 0.0 109.366 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.69 96.43 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.428 -0.795 . . . . 0.0 108.923 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' OD1' ' OG ' ' A' ' 63' ' ' SER . 14.0 m120 48.92 -105.47 0.16 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.322 -0.861 . . . . 0.0 109.58 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.822 -179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.504 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 C3'-C2'-C1' 106.968 3.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.148 1 O4'-C1'-N19 111.207 4.259 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.384 4.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.409 0 O4'-C1'-N19 110.252 3.065 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.909 5.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.54 3.684 0 O4'-C1'-N19 110.921 3.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 1 O4'-C1'-N19 111.659 4.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 0 O4'-C1'-N19 110.97 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.031 1 O4'-C1'-N19 111.193 4.242 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.035 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.326 1 O4'-C1'-N19 111.039 4.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.958 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.082 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.976 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.317 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.458 1 O4'-C1'-N19 111.007 4.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.91 3.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.019 1 O4'-C1'-N19 111.028 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.423 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 O4'-C1'-N19 110.947 3.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 1 O4'-C1'-N19 111.531 4.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.83 0 O4'-C1'-N19 110.461 3.326 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 1 O4'-C1'-N19 111.473 4.591 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.443 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 0 O4'-C1'-N19 110.647 3.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 4' ' ' GLY . 27.4 tptp -133.79 -86.14 0.43 Allowed 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 m120 51.89 40.7 28.52 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.169 -0.957 . . . . 0.0 110.007 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' ND2' ' A' ' 7' ' ' ASN . . . -59.81 -39.89 95.98 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.856 -1.298 . . . . 0.0 109.856 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -89.38 164.71 14.76 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.172 -1.193 . . . . 0.0 110.504 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 51.96 50.06 19.38 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 4' ' ' GLY . 13.1 m120 -59.81 -40.13 87.37 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.522 -0.737 . . . . 0.0 109.544 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -135.82 170.2 23.23 Favored Glycine 0 N--CA 1.496 2.666 0 N-CA-C 108.416 -1.874 . . . . 0.0 108.416 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -36.55 122.24 0.31 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.911 2.407 . . . . 0.0 113.172 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 84.5 m -59.22 119.28 7.08 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.168 -0.958 . . . . 0.0 109.23 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 95.8 m -134.9 138.24 43.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.696 -0.628 . . . . 0.0 109.758 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.3 t -65.19 109.68 2.29 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.373 -0.83 . . . . 0.0 109.101 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -63.54 -9.29 12.48 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.318 -0.864 . . . . 0.0 109.83 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.501 ' O ' HD13 ' A' ' 49' ' ' LEU . 52.0 m-20 -100.41 -33.96 10.15 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.126 -0.983 . . . . 0.0 112.18 -178.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.8 p -140.03 16.64 2.46 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.47 -1.394 . . . . 0.0 111.904 -178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 58.4 1.59 0.17 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.214 -0.929 . . . . 0.0 112.095 178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.2 m -56.58 124.22 17.52 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.397 -1.439 . . . . 0.0 109.87 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -103.43 -11.15 18.03 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -116.05 130.1 56.65 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.471 -0.768 . . . . 0.0 109.463 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.56 148.76 5.91 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.328 -0.857 . . . . 0.0 109.175 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -61.23 -24.79 79.62 Favored 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 121.645 1.563 . . . . 0.0 111.707 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.758 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 10.8 p -165.6 145.79 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.817 -1.177 . . . . 0.0 110.066 178.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -87.11 132.68 33.76 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.052 -1.03 . . . . 0.0 110.987 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -110.15 172.79 6.65 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.54 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.1 OUTLIER -148.01 175.22 11.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.218 -0.926 . . . . 0.0 109.068 179.384 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.646 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.2 t30 -138.31 144.91 44.9 Favored Pre-proline 0 N--CA 1.494 1.765 0 O-C-N 121.322 -0.861 . . . . 0.0 108.763 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -39.19 -3.41 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 123.262 2.642 . . . . 0.0 114.785 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.646 ' N ' ' O ' ' A' ' 26' ' ' ASN . 70.6 mm-40 -94.61 -17.53 22.23 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.612 -1.305 . . . . 0.0 108.181 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.82 10.18 61.77 Favored Glycine 0 N--CA 1.494 2.525 0 N-CA-C 110.626 -0.99 . . . . 0.0 110.626 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.69 120.41 70.97 Favored Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.036 -1.273 . . . . 0.0 109.616 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -58.57 140.98 96.96 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.525 1.483 . . . . 0.0 112.128 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD22 ' ND2' ' A' ' 14' ' ' ASN . 76.2 mt -139.59 147.86 41.71 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.596 -0.69 . . . . 0.0 109.777 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -77.59 -171.32 2.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.432 -0.792 . . . . 0.0 109.027 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.758 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 25.9 m-80 -71.57 -50.22 33.06 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.116 -0.99 . . . . 0.0 111.906 -178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.39 65.53 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.844 -1.16 . . . . 0.0 111.52 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 79.0 m -60.36 -47.28 86.72 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.737 -1.227 . . . . 0.0 110.698 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.61 -50.17 69.82 Favored Glycine 0 N--CA 1.488 2.117 0 C-N-CA 119.842 -1.17 . . . . 0.0 110.261 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 43.0 mt -68.7 -47.03 67.43 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.139 -1.212 . . . . 0.0 110.404 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 31.9 t80 -69.3 -47.58 64.13 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.34 -0.85 . . . . 0.0 112.318 -178.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.5 tp -60.05 -47.63 85.07 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.879 -1.138 . . . . 0.0 110.462 -177.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -61.74 -46.04 91.33 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.935 -1.103 . . . . 0.0 110.214 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.7 -40.22 72.98 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.956 -1.09 . . . . 0.0 110.718 -179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 70.8 m80 -84.89 -46.07 11.65 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.97 -1.081 . . . . 0.0 111.509 -177.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.91 6.68 60.47 Favored Glycine 0 N--CA 1.496 2.653 0 O-C-N 120.645 -1.284 . . . . 0.0 111.422 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -136.65 143.69 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.998 -1.295 . . . . 0.0 109.732 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.2 m -55.64 149.26 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.356 -0.84 . . . . 0.0 110.487 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.8 tpt180 -149.79 134.45 9.35 Favored Pre-proline 0 N--CA 1.493 1.716 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 47' ' ' ARG . 44.3 Cg_exo -33.15 97.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.171 0 C-N-CA 122.375 2.05 . . . . 0.0 113.213 -179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD13 ' O ' ' A' ' 14' ' ' ASN . 62.7 mt -57.45 -16.15 8.73 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.0 m -56.39 -4.92 0.16 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.279 -0.888 . . . . 0.0 110.094 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.425 ' H ' ' C ' ' A' ' 49' ' ' LEU . 32.7 mt -74.46 -40.11 62.1 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.806 -1.184 . . . . 0.0 108.468 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 33.6 tptt -52.58 166.93 0.16 Allowed 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER -152.01 176.24 11.7 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.403 ' N ' ' OG1' ' A' ' 53' ' ' THR . 73.4 m-20 -93.57 2.25 56.45 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 108.448 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.9 t -119.57 135.54 59.59 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.4 mt -112.9 130.11 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -80.03 133.69 36.16 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.905 -1.122 . . . . 0.0 109.024 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -87.1 126.31 34.69 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.177 -0.952 . . . . 0.0 109.755 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.447 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.0 mtt-85 -93.0 176.62 6.35 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.06 -1.025 . . . . 0.0 108.909 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -73.22 176.68 5.69 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.905 -1.122 . . . . 0.0 110.631 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.4 mtt-85 -142.5 153.57 43.75 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -83.95 132.12 34.79 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.049 -1.032 . . . . 0.0 108.826 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.4 t -65.18 -46.74 79.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.939 -1.101 . . . . 0.0 109.869 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.62 -60.09 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.45 -0.782 . . . . 0.0 109.67 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -59.13 140.81 55.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.48 -0.762 . . . . 0.0 109.309 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.492 1.674 0 O-C-N 120.993 -1.067 . . . . 0.0 109.545 -179.901 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.779 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.791 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.106 1 O4'-C1'-N19 111.352 4.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.142 0 O4'-C1'-N19 110.484 3.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.221 1 O4'-C1'-N19 111.679 4.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.387 3.234 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.624 1 O4'-C1'-N19 112.191 5.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.692 3.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 0 O4'-C1'-N19 110.85 3.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.839 1 O4'-C1'-N19 111.284 4.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.914 0 O4'-C1'-N19 110.881 3.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 1 O4'-C1'-N19 111.144 4.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.02 1 O4'-C1'-N19 111.081 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.926 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.443 4.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.952 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.525 3.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.81 0 O4'-C1'-N19 110.911 3.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.539 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.89 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.733 1 O4'-C1'-N19 111.666 4.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.077 0 O4'-C1'-N19 110.404 3.255 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.19 1 O4'-C1'-N19 111.785 4.981 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.405 " H2'" ' H71' ' C' ' 125' ' ' ' DT' . . . . . . . . 1 C5'--C4' 1.543 4.054 0 O4'-C1'-N19 110.84 3.8 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.405 ' H71' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.054 0 O4'-C1'-N19 110.196 2.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.135 1 O4'-C1'-N19 111.21 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' ' O ' ' A' ' 1' ' ' MET . 6.9 tmm? . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -73.95 148.48 42.11 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.046 -1.033 . . . . 0.0 108.821 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 m120 50.53 49.62 20.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.953 -1.092 . . . . 0.0 109.364 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.45 162.86 23.91 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 110.103 -1.199 . . . . 0.0 110.103 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -75.15 142.9 43.51 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.189 -1.183 . . . . 0.0 109.739 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -59.8 -42.06 92.61 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.446 -0.783 . . . . 0.0 109.509 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.521 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 33.8 p-10 -173.09 -65.27 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.631 -1.293 . . . . 0.0 109.655 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.521 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -141.11 171.2 24.28 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 108.82 -1.712 . . . . 0.0 108.82 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -37.01 143.6 0.13 Allowed 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.826 2.351 . . . . 0.0 112.251 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.6 m -57.01 118.23 4.78 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.083 -1.047 . . . . 0.0 109.311 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.7 m -132.27 139.27 48.18 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.482 -0.762 . . . . 0.0 109.776 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.8 t -65.1 106.26 1.25 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.95 -1.093 . . . . 0.0 110.36 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.9 p -63.24 -9.48 11.65 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.592 -0.692 . . . . 0.0 109.983 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 34.2 m-20 -100.95 -34.15 9.89 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.073 -1.017 . . . . 0.0 111.306 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.509 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.5 p -137.85 9.64 2.83 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.589 -1.32 . . . . 0.0 110.212 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 57.14 4.65 0.2 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.396 -0.815 . . . . 0.0 111.661 178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.509 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 6.5 m -52.38 127.72 23.2 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 119.868 -1.77 . . . . 0.0 108.745 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -102.37 -15.97 16.37 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -109.09 123.85 49.83 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 t -162.19 146.78 9.7 Favored Pre-proline 0 N--CA 1.496 1.864 0 O-C-N 121.071 -1.018 . . . . 0.0 109.315 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.61 -18.51 42.74 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.234 1.956 . . . . 0.0 111.964 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.1 p -167.87 143.42 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 120.944 -1.097 . . . . 0.0 109.776 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -91.82 133.9 35.23 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.36 -0.838 . . . . 0.0 110.024 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.473 ' NH2' HD21 ' A' ' 38' ' ' LEU . 22.3 mmt180 -100.8 165.96 11.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.351 -0.843 . . . . 0.0 108.977 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.486 HH11 ' HG2' ' A' ' 25' ' ' ARG . 30.2 mtt-85 -131.8 159.07 39.57 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.414 -0.804 . . . . 0.0 108.912 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.806 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.4 t30 -127.46 149.16 69.27 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -47.34 -0.99 0.02 OUTLIER 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.905 1.737 . . . . 0.0 113.391 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.806 ' H ' HD22 ' A' ' 26' ' ' ASN . 55.4 mm-40 -98.83 -14.02 19.84 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.483 -1.386 . . . . 0.0 108.147 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.37 7.62 72.39 Favored Glycine 0 N--CA 1.489 2.201 0 N-CA-C 110.699 -0.961 . . . . 0.0 110.699 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -82.6 140.07 44.28 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 120.886 -1.361 . . . . 0.0 108.563 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.58 138.85 30.2 Favored 'Trans proline' 0 N--CA 1.501 1.968 0 C-N-CA 122.44 2.093 . . . . 0.0 112.446 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 84.5 mt -136.94 148.34 46.91 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.353 -0.842 . . . . 0.0 109.943 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.9 p -76.99 -177.63 4.53 Favored 'General case' 0 N--CA 1.485 1.302 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.747 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.0 -40.04 72.07 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.785 -1.197 . . . . 0.0 111.913 -178.389 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.648 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -65.71 -49.28 69.07 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.661 -1.274 . . . . 0.0 111.835 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 91.3 m -63.14 -43.88 97.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.612 -1.305 . . . . 0.0 110.532 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.2 -49.94 67.01 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.74 -1.344 . . . . 0.0 109.74 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.473 HD21 ' NH2' ' A' ' 24' ' ' ARG . 87.4 mt -65.18 -49.95 67.84 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.748 -0.854 . . . . 0.0 110.492 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.665 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.4 t80 -67.63 -48.24 67.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.749 -1.219 . . . . 0.0 111.288 -178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -60.18 -49.89 75.84 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.941 -1.099 . . . . 0.0 109.869 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -65.21 -42.16 93.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.656 -1.278 . . . . 0.0 110.533 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.92 -40.42 79.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.063 -1.023 . . . . 0.0 110.077 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -87.77 -41.28 13.4 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.532 -1.355 . . . . 0.0 111.642 -178.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 7.3 69.61 Favored Glycine 0 N--CA 1.488 2.104 0 O-C-N 120.385 -1.447 . . . . 0.0 110.99 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.1 m -139.41 144.55 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.019 -1.283 . . . . 0.0 110.53 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.9 m -53.82 147.02 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.401 -0.812 . . . . 0.0 109.872 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 HH11 ' HG2' ' A' ' 47' ' ' ARG . 1.3 tpt180 -150.45 131.89 7.57 Favored Pre-proline 0 N--CA 1.492 1.669 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 17.2 Cg_exo -31.8 102.78 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.297 1.998 . . . . 0.0 113.591 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.54 -11.98 8.6 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.9 t -59.48 -10.12 3.05 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.274 -0.891 . . . . 0.0 109.683 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.92 -39.76 72.5 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 3.0 tmtm? -44.95 157.26 0.07 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.55 0.691 . . . . 0.0 110.232 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.516 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -149.41 167.08 27.17 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.122 -0.986 . . . . 0.0 108.356 178.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -91.11 -3.35 57.18 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.154 -0.966 . . . . 0.0 108.45 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.8 t -110.98 130.58 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -105.78 140.15 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.716 -0.615 . . . . 0.0 109.897 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -84.48 118.82 24.53 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -85.86 125.0 32.97 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.379 -0.825 . . . . 0.0 108.837 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.431 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.5 mtm180 -97.16 179.05 5.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.051 -1.03 . . . . 0.0 109.322 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -74.88 178.1 5.79 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.927 0.87 . . . . 0.0 111.508 -177.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -149.55 164.51 34.9 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -82.59 143.41 31.04 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.843 -1.161 . . . . 0.0 109.465 179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.9 t -67.41 128.64 37.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.107 -0.995 . . . . 0.0 109.26 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.97 -57.28 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.213 -0.93 . . . . 0.0 108.709 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.54 -43.74 96.87 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.284 -0.885 . . . . 0.0 109.734 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.881 -179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.494 3.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.828 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.769 1 O4'-C1'-N19 111.605 4.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.11 1 O4'-C1'-N19 111.058 4.072 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 111.78 4.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.531 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.238 4.298 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.728 1 O4'-C1'-N19 111.418 4.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.064 1 O4'-C1'-N19 111.29 4.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.966 3.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.541 3.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 1 O4'-C1'-N19 111.067 4.083 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.939 1 O4'-C1'-N19 111.389 4.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.851 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.959 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C1'-N19 110.939 3.924 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.702 0 O4'-C1'-N19 110.676 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.251 1 O4'-C1'-N19 111.35 4.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.79 0 O4'-C1'-N19 110.606 3.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.516 1 O4'-C1'-N19 111.478 4.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.17 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.2 pttm -149.98 152.28 34.69 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.278 -0.889 . . . . 0.0 109.283 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -159.4 159.08 33.31 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.899 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.74 -60.67 0.01 OUTLIER Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.638 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 3.7 pm0 -85.65 26.04 1.0 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.189 -1.183 . . . . 0.0 109.926 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -50.34 130.07 22.66 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.178 -0.951 . . . . 0.0 108.523 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -121.8 44.63 2.52 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.545 -0.722 . . . . 0.0 110.246 -178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.24 59.44 0.04 OUTLIER Glycine 0 N--CA 1.489 2.2 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -73.56 116.63 4.75 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.505 2.136 . . . . 0.0 112.24 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.2 m -59.92 119.93 8.67 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.623 -0.673 . . . . 0.0 110.095 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 16' ' ' PHE . 8.3 m -131.16 140.0 49.87 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.579 -0.701 . . . . 0.0 109.282 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.2 t -62.81 109.3 1.39 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.046 -1.034 . . . . 0.0 109.83 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.3 p -65.82 -12.73 56.49 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.294 -0.878 . . . . 0.0 110.059 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.475 ' ND2' HD22 ' A' ' 32' ' ' LEU . 78.7 m-20 -96.88 -33.15 11.73 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.863 -1.148 . . . . 0.0 110.205 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.8 p -140.94 19.88 2.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.725 -1.235 . . . . 0.0 110.462 -179.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 43.9 p90 46.26 6.54 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 113.097 178.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.5 m -54.13 119.18 4.75 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.1 -1.625 . . . . 0.0 109.087 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -95.25 -5.35 43.94 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.573 -0.704 . . . . 0.0 109.293 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 ' O ' ' CG2' ' A' ' 17' ' ' THR . 94.1 m -119.92 128.52 53.69 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.479 -0.763 . . . . 0.0 108.955 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 t -166.81 147.67 5.22 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.106 -0.996 . . . . 0.0 109.782 -179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -56.39 -28.49 72.97 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 121.669 1.58 . . . . 0.0 111.929 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 9.3 p -167.94 156.07 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.079 -1.013 . . . . 0.0 109.607 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.426 ' N ' HG22 ' A' ' 22' ' ' VAL . 92.5 m95 -94.34 133.46 37.88 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.111 -0.993 . . . . 0.0 110.633 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -101.51 169.35 8.91 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -136.89 162.97 31.79 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.398 -0.814 . . . . 0.0 109.349 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.581 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.3 t30 -132.13 148.01 68.1 Favored Pre-proline 0 N--CA 1.496 1.841 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 -178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -46.11 -2.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.884 1.723 . . . . 0.0 113.34 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 26' ' ' ASN . 90.1 mt-10 -99.25 -19.12 17.26 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.896 -1.127 . . . . 0.0 108.038 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.67 13.79 64.41 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.893 -1.283 . . . . 0.0 109.893 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -86.84 119.54 71.22 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.104 -1.233 . . . . 0.0 108.505 178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -57.19 138.87 88.2 Favored 'Trans proline' 0 N--CA 1.498 1.74 0 C-N-CA 121.277 1.318 . . . . 0.0 112.715 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.475 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.3 mt -138.34 148.39 44.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.596 -0.69 . . . . 0.0 109.456 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.6 p -79.02 178.45 8.02 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.024 -1.047 . . . . 0.0 108.774 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.773 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 38.9 m-80 -61.51 -48.28 81.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.118 -0.989 . . . . 0.0 112.354 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.03 -50.55 72.89 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.559 -1.338 . . . . 0.0 111.749 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 76.1 m -62.81 -45.61 91.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.69 -1.256 . . . . 0.0 110.498 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.63 -50.53 66.61 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 86.8 mt -68.56 -45.47 72.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.333 -1.098 . . . . 0.0 110.905 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 43.5 t80 -74.17 -51.49 15.36 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.993 -1.067 . . . . 0.0 112.307 -177.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.8 tp -59.96 -48.44 81.7 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.063 -1.023 . . . . 0.0 110.382 -177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -62.13 -45.1 94.94 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.985 -1.072 . . . . 0.0 110.64 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.1 mt -69.73 -36.68 76.07 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.151 -0.968 . . . . 0.0 110.609 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.623 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 73.6 m80 -87.45 -37.21 17.19 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.714 -1.241 . . . . 0.0 111.587 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.14 9.9 72.75 Favored Glycine 0 N--CA 1.492 2.408 0 O-C-N 120.433 -1.417 . . . . 0.0 111.107 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.1 m -135.49 170.42 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.045 -1.268 . . . . 0.0 109.864 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.9 m -53.73 146.65 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.532 -0.73 . . . . 0.0 110.201 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.585 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 33.4 ttp180 -120.03 119.58 30.85 Favored Pre-proline 0 N--CA 1.499 1.988 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -49.1 91.29 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.9 1.066 . . . . 0.0 110.534 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' ARG . 49.7 mt -56.91 -14.81 3.84 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.302 -0.874 . . . . 0.0 109.149 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 m -60.04 -11.69 6.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.287 -0.883 . . . . 0.0 108.842 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.06 -35.15 42.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.367 -0.833 . . . . 0.0 108.915 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 53' ' ' THR . 4.2 tmtm? -46.68 151.69 0.56 Allowed 'General case' 0 N--CA 1.491 1.617 0 CA-C-O 121.738 0.78 . . . . 0.0 110.446 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 1.2 t -150.01 169.23 21.7 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -95.87 1.56 53.12 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.125 -0.984 . . . . 0.0 108.801 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.0 t -119.28 136.43 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.629 -0.669 . . . . 0.0 109.291 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -119.95 133.73 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -78.81 131.3 36.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.038 -1.039 . . . . 0.0 109.139 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -85.79 127.8 34.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.372 -0.83 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.574 HH11 ' HG2' ' A' ' 59' ' ' ARG . 4.0 mmt-85 -100.64 -175.92 3.04 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.276 -0.89 . . . . 0.0 109.257 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -69.36 164.57 22.63 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 122.569 1.176 . . . . 0.0 111.585 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG3' HH11 ' A' ' 61' ' ' ARG . 54.8 mtm-85 -148.05 158.56 44.13 Favored 'General case' 0 N--CA 1.489 1.51 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.561 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.0 p-10 -86.97 144.15 27.05 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.95 -1.094 . . . . 0.0 109.589 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.5 p -90.93 156.51 17.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.213 -0.93 . . . . 0.0 109.741 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -175.42 -69.26 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 45.82 -118.48 0.76 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.797 . . . . 0.0 110.328 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 N--CA 1.489 1.522 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.258 -179.563 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.415 3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.212 0 O4'-C1'-N19 110.991 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.399 4.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.488 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.535 3.062 1 O4'-C1'-N19 111.928 5.16 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.656 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.823 0 O4'-C1'-N19 110.907 3.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.93 1 O4'-C1'-N19 111.489 4.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.442 0 O4'-C1'-N19 110.506 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.399 1 O4'-C1'-N19 111.359 4.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.528 1 O4'-C1'-N19 111.061 4.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.237 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.239 1 O4'-C1'-N19 111.4 4.5 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.129 4.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.557 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.524 1 O4'-C1'-N19 111.106 4.132 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.603 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.872 0 O4'-C1'-N19 110.58 3.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.881 0 O4'-C1'-N19 110.786 3.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.401 0 O4'-C1'-N19 110.279 3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.682 0 O4'-C1'-N19 110.991 3.989 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.673 0 O4'-C1'-N19 110.946 3.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.415 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.471 ' P ' ' HE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.9 3.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.423 1 O4'-C1'-N19 111.384 4.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.976 3.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 1 O4'-C1'-N19 111.407 4.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 0 O4'-C1'-N19 110.997 3.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -95.96 114.33 26.04 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.198 -0.939 . . . . 0.0 109.382 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -149.6 76.68 1.31 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.214 -0.929 . . . . 0.0 108.793 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -69.43 78.19 0.34 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.969 -1.252 . . . . 0.0 109.969 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' O ' ' O ' ' A' ' 4' ' ' GLY . 83.8 tt0 56.71 153.35 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.763 -0.845 . . . . 0.0 109.968 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -149.54 154.87 39.42 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.035 -1.041 . . . . 0.0 108.527 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -155.92 153.06 29.04 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.774 -1.203 . . . . 0.0 110.205 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -174.04 -69.19 0.05 OUTLIER Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.774 -1.331 . . . . 0.0 109.774 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.17 54.14 0.47 Allowed 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 122.858 2.372 . . . . 0.0 111.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.1 m -55.34 116.14 2.67 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.396 -179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.2 m -134.47 142.56 47.11 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.568 -0.708 . . . . 0.0 109.233 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.3 t -77.21 108.24 10.18 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.27 -0.894 . . . . 0.0 109.76 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 49.5 p -65.33 -10.38 32.36 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.523 -0.735 . . . . 0.0 110.583 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 61.4 m-20 -97.81 -34.36 10.91 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.925 -1.109 . . . . 0.0 111.031 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.6 p -134.79 6.58 3.44 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.892 -1.13 . . . . 0.0 110.555 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 82.6 m-85 59.84 4.29 0.57 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.286 -0.884 . . . . 0.0 112.069 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.3 m -59.41 130.0 44.77 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.319 -1.488 . . . . 0.0 109.15 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.13 -16.5 17.03 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.5 m -108.07 128.76 54.96 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.616 -0.678 . . . . 0.0 109.921 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.48 149.24 8.39 Favored Pre-proline 0 N--CA 1.489 1.489 0 O-C-N 121.255 -0.903 . . . . 0.0 109.401 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -66.77 -24.29 47.28 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.013 1.808 . . . . 0.0 111.339 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.54 141.31 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.377 -0.827 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.64 131.4 36.36 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.744 0.783 . . . . 0.0 110.597 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.15 166.47 10.77 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 25' ' ' ARG . 43.5 mtt-85 -135.79 160.13 39.51 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.56 ' O ' ' N ' ' A' ' 28' ' ' GLU . 23.0 t30 -125.56 146.69 55.55 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -46.81 0.21 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.174 1.916 . . . . 0.0 114.103 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' ASN . 46.3 mt-10 -99.94 -13.88 18.94 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.817 -1.177 . . . . 0.0 107.882 178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.77 12.26 66.8 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -85.16 139.97 36.72 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.012 -1.287 . . . . 0.0 108.836 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.73 139.3 22.32 Favored 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.768 1.645 . . . . 0.0 112.703 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.5 mt -140.15 150.43 44.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.756 -0.59 . . . . 0.0 109.476 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.5 -166.79 0.81 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.102 -0.999 . . . . 0.0 108.744 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.534 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 29.9 p-10 -78.06 -46.61 20.38 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.139 -0.975 . . . . 0.0 111.199 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.35 -52.17 66.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.91 -1.119 . . . . 0.0 112.052 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.0 m -60.76 -45.53 93.97 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.712 -1.242 . . . . 0.0 110.747 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.33 79.72 Favored Glycine 0 N--CA 1.489 2.198 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.656 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 93.0 mt -68.49 -54.42 17.02 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.515 -0.991 . . . . 0.0 111.389 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.9 t80 -64.45 -50.02 69.17 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.381 -0.824 . . . . 0.0 111.918 -177.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -60.01 -49.16 78.78 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.194 -0.942 . . . . 0.0 111.316 -177.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.488 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 81.2 tttt -60.04 -43.35 95.41 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.918 -1.114 . . . . 0.0 109.852 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.9 mt -70.29 -40.86 74.02 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.341 -0.849 . . . . 0.0 111.585 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.62 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 66.4 m80 -83.84 -36.91 23.11 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.946 -1.096 . . . . 0.0 110.822 -177.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.18 7.94 68.63 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.668 -1.27 . . . . 0.0 111.501 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.18 147.01 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 O-C-N 120.71 -1.465 . . . . 0.0 110.531 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.8 m -55.45 145.58 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.643 -0.661 . . . . 0.0 109.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -144.02 136.93 13.72 Favored Pre-proline 0 N--CA 1.497 1.919 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.407 ' C ' ' O ' ' A' ' 47' ' ' ARG . 62.3 Cg_exo -31.42 104.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 122.63 2.22 . . . . 0.0 113.668 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' LEU . 90.8 mt -61.76 -21.75 64.82 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.6 t -55.05 -6.36 0.13 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.367 -0.833 . . . . 0.0 110.044 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' LEU . 23.4 mt -74.28 -39.95 62.61 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.103 -1.073 . . . . 0.0 108.103 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.8 161.03 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.613 . . . . 0.0 109.806 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.44 165.04 31.45 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -92.3 -4.93 53.25 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.3 136.96 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 75.5 mt -104.2 130.14 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.173 -0.954 . . . . 0.0 108.785 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -78.96 132.98 36.89 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -72.87 151.0 42.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.274 -0.891 . . . . 0.0 109.527 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -124.47 160.95 27.11 Favored 'General case' 0 N--CA 1.498 1.934 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -74.57 174.39 9.08 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.702 -1.249 . . . . 0.0 110.909 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' HE ' ' P ' ' C' ' 122' ' ' ' DC' . 35.5 mtp180 -138.37 131.27 29.7 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.729 -0.607 . . . . 0.0 109.582 -178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -89.89 111.57 22.66 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.206 -0.934 . . . . 0.0 108.957 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.2 m -140.02 157.55 45.48 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.42 63.89 2.03 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.061 -1.024 . . . . 0.0 109.431 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.09 -1.007 . . . . 0.0 109.813 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.546 -179.809 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.506 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.573 0 O4'-C1'-N19 110.37 3.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.941 0 O4'-C1'-N19 110.923 3.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.317 1 O4'-C1'-N19 111.6 4.75 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.193 0 O4'-C1'-N19 110.714 3.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 1 O4'-C1'-N19 111.963 5.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.755 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 3.031 0 O4'-C1'-N19 110.813 3.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.001 1 O4'-C1'-N19 111.692 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.131 1 O4'-C1'-N19 111.155 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.844 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.22 0 O4'-C1'-N19 110.995 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.976 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.287 0 O4'-C1'-N19 110.77 3.713 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 111.264 4.33 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.003 4.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.044 4.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.825 3.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 0 O4'-C1'-N19 110.738 3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.697 3.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 1 O4'-C1'-N19 111.746 4.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.501 ' H62' HD13 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.964 0 O4'-C1'-N19 110.934 3.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.744 4.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.554 3.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.808 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.683 1 O4'-C1'-N19 111.154 4.192 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.54 4.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.0 mtmm -67.86 140.39 56.55 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.227 -0.921 . . . . 0.0 109.197 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 41.2 p-10 -69.75 -19.89 63.52 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.151 -0.968 . . . . 0.0 109.002 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . 88.16 -54.04 4.22 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -89.98 75.42 7.17 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.34 -1.094 . . . . 0.0 108.79 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.08 -39.88 90.39 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.6 -0.687 . . . . 0.0 109.837 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.42 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 33.5 t-20 51.35 -164.42 0.06 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.096 -1.003 . . . . 0.0 109.335 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.42 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 153.2 161.19 10.16 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -73.61 6.28 2.86 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.497 2.132 . . . . 0.0 111.832 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 78.3 m -60.24 120.01 9.0 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.424 0.63 . . . . 0.0 110.341 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.9 m -136.51 146.1 45.85 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.621 -0.674 . . . . 0.0 109.916 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.1 t -73.75 108.51 6.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.363 -0.836 . . . . 0.0 109.496 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 p -65.74 -9.34 27.23 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.439 -0.788 . . . . 0.0 110.753 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -101.33 -32.25 10.57 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.86 -1.15 . . . . 0.0 111.452 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.474 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.0 p -137.74 9.57 2.86 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 120.732 -1.23 . . . . 0.0 110.798 -178.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 61.67 1.18 0.56 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.213 -0.93 . . . . 0.0 111.902 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 4.2 m -53.64 130.36 36.03 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.337 -1.477 . . . . 0.0 109.742 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -108.18 -19.8 13.36 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 m -105.89 126.43 52.17 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 t -165.53 147.06 6.15 Favored Pre-proline 0 N--CA 1.49 1.562 0 O-C-N 120.931 -1.106 . . . . 0.0 109.817 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.09 -24.49 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.33 2.02 . . . . 0.0 112.459 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -166.23 140.43 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.872 -1.142 . . . . 0.0 110.238 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -88.09 133.1 34.06 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -101.82 170.71 7.97 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.614 -0.679 . . . . 0.0 109.601 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -139.7 162.57 34.79 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.164 -0.96 . . . . 0.0 109.854 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.1 t30 -131.14 146.02 60.27 Favored Pre-proline 0 N--CA 1.498 1.939 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_exo -45.25 0.2 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.34 2.027 . . . . 0.0 114.072 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 45.4 mt-10 -97.1 -17.37 20.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.772 -1.205 . . . . 0.0 108.278 178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.24 8.75 64.18 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.044 -1.223 . . . . 0.0 110.044 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -84.98 142.59 38.91 Favored Pre-proline 0 N--CA 1.491 1.617 0 O-C-N 121.027 -1.278 . . . . 0.0 109.026 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.09 141.73 14.92 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 122.276 1.984 . . . . 0.0 112.362 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 69.0 mt -139.85 149.99 44.11 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.407 -0.808 . . . . 0.0 110.146 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 p -75.9 -176.67 3.5 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -71.09 -44.28 66.0 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.901 -1.125 . . . . 0.0 111.178 -179.267 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.698 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.32 -53.66 54.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.856 -1.152 . . . . 0.0 112.084 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.05 -39.22 71.7 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.81 -1.182 . . . . 0.0 110.418 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.45 -47.7 84.96 Favored Glycine 0 N--CA 1.488 2.121 0 C-N-CA 119.68 -1.248 . . . . 0.0 110.21 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.755 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.6 mt -69.94 -56.0 8.18 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.253 -1.145 . . . . 0.0 111.218 -179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.538 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.8 t80 -66.55 -50.09 64.29 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.013 -1.055 . . . . 0.0 112.008 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.3 -49.82 76.1 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.774 -1.204 . . . . 0.0 110.276 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -63.16 -42.13 99.36 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.866 -1.146 . . . . 0.0 109.964 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.9 mt -69.99 -39.95 75.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.053 -1.029 . . . . 0.0 110.334 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 62.1 m80 -86.41 -40.75 15.06 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.965 -1.084 . . . . 0.0 111.085 -178.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.84 15.13 75.89 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 120.532 -1.355 . . . . 0.0 111.472 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -138.38 173.3 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 120.992 -1.299 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.2 149.53 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.279 -0.888 . . . . 0.0 110.015 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -127.06 118.58 22.08 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.49 -0.757 . . . . 0.0 109.048 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -49.4 95.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.958 1.106 . . . . 0.0 110.77 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.6 mt -59.05 -19.5 44.6 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.459 -0.776 . . . . 0.0 109.454 -179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -60.1 -9.98 3.83 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.464 -0.772 . . . . 0.0 110.526 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.26 -36.07 63.83 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.904 -1.122 . . . . 0.0 108.449 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' CG ' ' N ' ' A' ' 53' ' ' THR . 16.6 ttpp -43.63 159.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 122.264 1.031 . . . . 0.0 112.097 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -148.75 170.04 19.09 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 177.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -93.7 6.29 48.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.64 -1.287 . . . . 0.0 109.609 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.9 t -125.57 142.14 43.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -116.72 129.51 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -77.93 131.42 37.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.31 -0.869 . . . . 0.0 109.088 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -86.52 126.63 34.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.466 -0.771 . . . . 0.0 108.987 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -96.85 174.0 7.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.18 -0.95 . . . . 0.0 109.179 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 40.5 p-10 -81.66 -162.36 0.52 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.327 -0.858 . . . . 0.0 110.067 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.534 ' CG ' HH11 ' A' ' 61' ' ' ARG . 3.3 mtt-85 -139.93 159.77 41.44 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -146.75 86.78 1.67 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.817 -1.177 . . . . 0.0 110.566 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.7 t -74.27 -29.19 61.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.412 -0.805 . . . . 0.0 109.199 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.19 -12.59 57.0 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.307 -0.871 . . . . 0.0 110.347 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -62.32 134.58 56.67 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.004 -1.06 . . . . 0.0 110.053 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.352 179.714 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.49 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.569 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.153 1 O4'-C1'-N19 111.073 4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.513 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.774 0 O4'-C1'-N19 110.524 3.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.851 1 O4'-C1'-N19 111.562 4.703 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.537 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.599 3.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.113 1 O4'-C1'-N19 111.834 5.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.32 1 O4'-C1'-N19 111.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.235 4.293 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.855 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.668 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.401 0 O4'-C1'-N19 110.895 3.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 1 O4'-C1'-N19 111.179 4.224 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.002 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C1'-N19 110.78 3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.779 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.731 0 O4'-C1'-N19 110.913 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.402 ' OP2' ' OD1' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.536 3.074 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.457 4.571 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 O4'-C1'-N19 110.221 3.026 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 111.767 4.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.097 1 O4'-C1'-N19 111.156 4.195 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 0 O4'-C1'-N19 110.467 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.632 0 O4'-C1'-N19 110.842 3.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ptm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt 50.44 -177.0 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.422 -0.799 . . . . 0.0 109.246 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' A' ' 4' ' ' GLY . 69.9 m-80 -126.11 133.66 51.57 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.464 -0.772 . . . . 0.0 110.215 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 3' ' ' ASN . . . -59.37 -108.65 0.01 OUTLIER Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -148.89 -39.1 0.16 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.226 -1.161 . . . . 0.0 109.109 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -123.06 148.43 45.61 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.704 -0.623 . . . . 0.0 109.328 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -69.39 127.72 34.02 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.373 -0.83 . . . . 0.0 110.083 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.34 106.98 0.23 Allowed Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -83.22 55.45 5.1 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.093 1.862 . . . . 0.0 112.902 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.8 m -83.14 150.2 26.4 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.39 -0.818 . . . . 0.0 108.897 178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.9 m -131.89 133.74 44.93 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.021 -1.05 . . . . 0.0 109.557 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.1 t -82.06 111.47 18.23 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.4 p -65.18 -10.94 35.48 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.486 -0.758 . . . . 0.0 110.99 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.4 m120 -100.35 -32.19 10.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.951 -1.093 . . . . 0.0 110.837 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -139.55 11.34 2.51 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 120.743 -1.223 . . . . 0.0 111.447 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 91.3 m-85 58.82 0.14 0.15 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.105 -0.997 . . . . 0.0 112.096 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 29.1 m -58.3 129.99 44.6 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.388 -1.445 . . . . 0.0 108.488 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.575 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -106.97 -5.14 18.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.734 -0.604 . . . . 0.0 109.427 -179.504 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.7 m -114.24 128.64 56.46 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -164.44 150.86 9.51 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.195 -0.941 . . . . 0.0 109.899 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.77 -23.47 30.73 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.262 1.975 . . . . 0.0 111.13 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.1 p -163.82 146.11 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.434 -0.791 . . . . 0.0 109.597 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -96.54 132.89 41.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.557 -0.715 . . . . 0.0 110.109 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -100.81 166.9 10.63 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.528 -0.732 . . . . 0.0 109.718 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.602 ' CG ' HH11 ' A' ' 25' ' ' ARG . 0.0 OUTLIER -131.09 159.42 37.67 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.5 t-20 -136.25 145.86 53.79 Favored Pre-proline 0 N--CA 1.496 1.854 0 O-C-N 121.229 -0.919 . . . . 0.0 108.891 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -41.01 -6.03 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.96 0 C-N-CA 122.816 2.344 . . . . 0.0 114.791 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 5.5 pt-20 -99.69 -19.89 16.56 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.768 -1.208 . . . . 0.0 108.388 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.74 15.52 59.6 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.876 -1.29 . . . . 0.0 109.876 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.0 mm100 -86.88 118.38 70.01 Favored Pre-proline 0 N--CA 1.49 1.561 0 O-C-N 121.183 -1.186 . . . . 0.0 108.398 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -57.26 140.43 92.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 CA-C-N 120.266 1.131 . . . . 0.0 111.992 179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD22 ' OD1' ' A' ' 14' ' ' ASN . 76.7 mt -138.08 147.67 44.27 Favored 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.28 -176.28 2.59 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.747 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.0 -42.04 73.56 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.67 -1.269 . . . . 0.0 111.501 -178.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.673 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.64 -50.94 67.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.591 -1.318 . . . . 0.0 111.504 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.1 m -58.54 -41.07 84.71 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.794 -1.191 . . . . 0.0 109.888 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.06 -50.39 57.77 Favored Glycine 0 N--CA 1.49 2.263 0 C-N-CA 119.884 -1.15 . . . . 0.0 110.301 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 78.4 mt -67.52 -52.08 43.34 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.179 -1.189 . . . . 0.0 110.743 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.553 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 46.3 t80 -65.11 -50.54 65.68 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.193 -0.942 . . . . 0.0 111.358 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.7 -46.1 91.66 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.029 -1.045 . . . . 0.0 109.535 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.36 -45.5 94.14 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.986 -1.071 . . . . 0.0 110.107 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.97 -40.53 75.32 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.1 -1.0 . . . . 0.0 110.618 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.553 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 52.5 m80 -86.53 -40.02 15.66 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.99 -1.069 . . . . 0.0 111.484 -177.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.15 10.68 69.49 Favored Glycine 0 N--CA 1.491 2.363 0 O-C-N 120.361 -1.462 . . . . 0.0 110.553 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.5 m -141.2 142.29 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 120.976 -1.308 . . . . 0.0 110.144 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.0 m -55.39 152.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -150.32 137.91 11.85 Favored Pre-proline 0 N--CA 1.49 1.561 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -179.067 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 25.0 Cg_exo -28.95 98.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 122.718 2.278 . . . . 0.0 113.61 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 14' ' ' ASN . 75.5 mt -60.73 -12.22 9.89 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.7 t -59.01 -7.64 1.15 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.648 -0.658 . . . . 0.0 109.995 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.34 -39.76 62.61 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.83 159.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.843 0.83 . . . . 0.0 110.89 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.97 167.24 27.24 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -93.37 0.51 56.9 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 84.3 t -114.19 131.17 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 108.555 -0.905 . . . . 0.0 108.555 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.3 mt -110.91 130.07 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -79.74 127.75 32.58 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.981 -1.074 . . . . 0.0 109.252 -179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -89.48 131.84 35.32 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.299 -0.876 . . . . 0.0 109.338 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 -97.94 -179.46 4.42 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 109.504 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -68.09 161.22 27.34 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.525 1.155 . . . . 0.0 111.418 -176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -147.31 178.44 8.41 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -76.63 151.16 36.31 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.938 -1.102 . . . . 0.0 109.459 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 99.9 p -61.68 -45.8 92.43 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.833 . . . . 0.0 109.884 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.01 160.02 8.0 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.707 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 66' ' ' SER . 18.8 p30 -60.26 -40.05 88.95 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.144 -0.973 . . . . 0.0 109.321 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.472 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 6.4 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.305 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.634 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.55 0 C3'-C2'-C1' 107.009 3.078 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.366 4.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.435 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 3.005 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.435 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 O4'-C1'-N19 110.374 3.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.144 1 O4'-C1'-N19 111.735 4.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.767 1 O4'-C1'-N19 111.271 4.339 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.161 1 O4'-C1'-N19 111.79 4.988 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.192 1 O4'-C1'-N19 111.188 4.235 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.912 3.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.968 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.567 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.653 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.137 1 O4'-C1'-N19 111.15 4.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.098 1 O4'-C1'-N19 111.071 4.089 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 1 O4'-C1'-N19 111.084 4.105 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 0 O4'-C1'-N19 110.802 3.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.062 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.445 1.918 1 O4'-C1'-N19 111.259 4.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.506 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.023 4.028 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.646 4.808 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.979 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.407 " H2'" ' H71' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.945 3.931 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.407 ' H71' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.712 0 O4'-C1'-N19 110.964 3.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 0 O4'-C1'-N19 110.584 3.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.374 0.606 . . . . 0.0 109.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -63.26 141.4 58.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.21 -0.931 . . . . 0.0 109.78 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -79.54 162.81 25.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.524 -0.735 . . . . 0.0 110.146 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.64 153.93 0.27 Allowed Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.745 -1.342 . . . . 0.0 109.745 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -140.32 155.62 46.74 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.647 -0.914 . . . . 0.0 108.566 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -145.51 160.27 41.87 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.844 -1.16 . . . . 0.0 109.008 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.5 p-10 -152.0 162.18 41.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.159 -0.963 . . . . 0.0 109.808 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.93 -161.2 9.7 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.678 -1.769 . . . . 0.0 108.678 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -81.24 109.91 2.19 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.348 2.032 . . . . 0.0 112.816 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -62.63 119.29 8.95 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.52 -0.737 . . . . 0.0 109.683 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.7 m -131.54 141.19 49.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.682 -0.636 . . . . 0.0 109.779 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.1 t -67.99 108.91 3.23 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.117 -0.989 . . . . 0.0 109.515 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 p -65.34 -10.03 29.53 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.611 -0.681 . . . . 0.0 110.339 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.538 ' ND2' HD22 ' A' ' 32' ' ' LEU . 79.9 m-20 -99.38 -32.59 11.09 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.88 -1.138 . . . . 0.0 110.782 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.557 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -139.98 16.18 2.46 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.654 -1.279 . . . . 0.0 111.253 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 56.3 6.45 0.26 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.132 -0.98 . . . . 0.0 112.237 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.557 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.0 m -58.02 121.38 10.48 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.323 -1.485 . . . . 0.0 110.287 -178.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -98.88 -16.32 18.87 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 178.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 17' ' ' THR . 27.6 m -108.99 124.52 50.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.5 t -164.44 145.91 6.79 Favored Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.149 -0.969 . . . . 0.0 109.422 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.25 -23.74 51.83 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.175 1.916 . . . . 0.0 111.81 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.27 140.56 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.244 -0.91 . . . . 0.0 109.991 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -89.22 133.2 34.53 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.83 -0.544 . . . . 0.0 110.182 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -103.42 169.13 8.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.58 -0.7 . . . . 0.0 109.148 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 HH11 ' HG2' ' A' ' 25' ' ' ARG . 41.4 mtt-85 -136.76 160.08 39.91 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.429 -0.794 . . . . 0.0 109.31 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.606 ' O ' ' N ' ' A' ' 28' ' ' GLU . 2.5 t-20 -129.18 148.84 70.78 Favored Pre-proline 0 N--CA 1.497 1.916 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo -43.96 -2.09 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.209 1.939 . . . . 0.0 113.903 178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.9 mt-10 -97.81 -14.76 20.59 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.668 -1.27 . . . . 0.0 108.28 178.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.44 8.88 80.19 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 3.4 pt20 -81.67 149.71 64.78 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.33 . . . . 0.0 108.382 178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -81.51 139.97 11.68 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 121.958 1.772 . . . . 0.0 112.045 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 HD22 ' ND2' ' A' ' 14' ' ' ASN . 77.0 mt -138.58 146.95 42.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.55 -0.719 . . . . 0.0 109.355 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.2 p -76.42 -166.89 0.69 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.979 -1.075 . . . . 0.0 108.85 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.514 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.1 p-10 -77.25 -47.58 19.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.098 -1.001 . . . . 0.0 111.454 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.514 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.19 -50.24 71.09 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.616 -1.302 . . . . 0.0 112.164 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 98.0 m -58.22 -41.1 83.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.493 -1.379 . . . . 0.0 110.259 -178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.22 -49.03 68.82 Favored Glycine 0 N--CA 1.488 2.129 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.228 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.9 mt -68.75 -52.52 29.69 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.199 -1.177 . . . . 0.0 111.552 -178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.649 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.7 t80 -68.79 -51.08 44.83 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.997 -1.064 . . . . 0.0 112.515 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.05 -49.8 76.23 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.11 -0.994 . . . . 0.0 110.755 -177.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.9 -41.77 97.61 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.135 -0.978 . . . . 0.0 110.667 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.1 mt -69.95 -39.52 76.0 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.101 -0.999 . . . . 0.0 110.024 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.649 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.5 m80 -83.71 -38.48 21.36 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.285 -0.884 . . . . 0.0 110.886 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.48 8.53 66.87 Favored Glycine 0 N--CA 1.494 2.545 0 O-C-N 120.632 -1.292 . . . . 0.0 110.987 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.7 m -133.42 171.98 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.096 -1.238 . . . . 0.0 109.711 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.7 m -55.08 150.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.537 -0.727 . . . . 0.0 110.048 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -125.72 137.0 29.15 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.456 ' C ' ' N ' ' A' ' 50' ' ' SER . 45.9 Cg_endo -69.29 98.13 0.63 Allowed 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 120.906 1.07 . . . . 0.0 110.357 178.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.33 -8.16 0.71 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' N ' ' C ' ' A' ' 48' ' ' PRO . 30.2 t -58.96 -12.63 4.79 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.46 -0.775 . . . . 0.0 109.109 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.84 -33.24 52.36 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' CE ' ' OG1' ' A' ' 17' ' ' THR . 19.9 tptp -43.88 141.8 1.52 Allowed 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 122.174 0.988 . . . . 0.0 110.429 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -147.47 168.4 22.0 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -93.93 3.28 55.6 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.866 -1.146 . . . . 0.0 108.301 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.8 t -120.02 136.66 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 CA-C-O 121.474 0.654 . . . . 0.0 109.314 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.29 133.52 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -79.01 128.92 33.87 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 120.858 -1.151 . . . . 0.0 109.196 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -87.11 128.36 35.11 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.454 HH11 ' HG2' ' A' ' 59' ' ' ARG . 36.4 mtt-85 -97.76 -178.99 4.29 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.113 -0.992 . . . . 0.0 109.137 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -73.01 -172.73 1.1 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.289 -0.882 . . . . 0.0 110.205 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 61' ' ' ARG . 33.1 mtm-85 -145.96 153.9 41.31 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.651 -0.655 . . . . 0.0 109.275 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -151.63 85.01 1.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.24 -0.912 . . . . 0.0 109.47 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.6 m -60.04 -40.02 87.93 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.181 -0.949 . . . . 0.0 108.948 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -171.39 -57.76 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -147.65 140.36 24.75 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.232 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.671 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.324 3.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.824 1 O4'-C1'-N19 111.33 4.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.681 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.44 3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.685 4.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.86 3.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.987 1 O4'-C1'-N19 111.703 4.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.551 0 O4'-C1'-N19 110.722 3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.507 1 O4'-C1'-N19 111.068 4.085 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C1'-N19 110.299 3.124 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.543 0 O4'-C1'-N19 110.928 3.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.007 4.008 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.52 0 O4'-C1'-N19 110.994 3.992 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.265 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.27 0 O4'-C1'-N19 110.431 3.289 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.932 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.541 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.546 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 1 O4'-C1'-N19 111.477 4.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.994 1 O4'-C1'-N19 111.064 4.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 1 O4'-C1'-N19 111.211 4.264 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.4 mtt . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.245 0.545 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 52.26 41.8 30.53 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.321 -0.862 . . . . 0.0 108.946 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -59.98 -43.08 95.36 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.114 -0.992 . . . . 0.0 108.596 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.7 -51.62 1.34 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -108.45 -116.74 0.28 Allowed 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.342 -1.093 . . . . 0.0 109.409 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -142.11 144.86 33.71 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.019 -1.051 . . . . 0.0 109.413 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -99.46 107.25 19.41 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.299 -0.876 . . . . 0.0 110.079 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -145.05 -175.5 18.26 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.135 -1.586 . . . . 0.0 109.135 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -41.37 165.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.304 -1.793 0 C-N-CA 122.924 2.416 . . . . 0.0 112.972 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.0 m -47.05 134.35 10.63 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.545 0.688 . . . . 0.0 110.272 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.3 m -128.8 142.21 51.06 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -76.64 110.25 11.06 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.007 -1.058 . . . . 0.0 109.9 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.8 p -65.01 -12.71 53.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.52 -0.738 . . . . 0.0 110.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -97.61 -33.06 11.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.913 -1.117 . . . . 0.0 110.878 -179.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 p -138.46 10.8 2.74 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 120.715 -1.241 . . . . 0.0 111.626 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 57.79 1.58 0.14 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.949 -1.095 . . . . 0.0 111.962 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -57.39 128.09 35.3 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 120.412 -1.43 . . . . 0.0 108.617 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 18' ' ' GLN . 23.1 pt20 -104.04 -4.06 23.79 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.3 m -114.57 126.16 54.6 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -163.34 148.05 9.05 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 121.165 -0.96 . . . . 0.0 110.024 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.55 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.193 1.928 . . . . 0.0 110.642 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 p -167.65 152.53 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 CA-C-O 121.469 0.652 . . . . 0.0 109.33 179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -96.64 132.21 42.51 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 121.578 0.704 . . . . 0.0 110.085 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -98.34 162.74 13.02 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.337 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' A' ' 25' ' ' ARG . 55.6 mtt-85 -131.45 156.35 45.78 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.606 -0.684 . . . . 0.0 109.677 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.819 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.6 t30 -123.87 146.55 51.11 Favored Pre-proline 0 N--CA 1.495 1.784 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -43.49 -3.83 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.18 1.92 . . . . 0.0 113.909 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.819 ' H ' HD22 ' A' ' 26' ' ' ASN . 71.5 mm-40 -96.81 -13.05 22.84 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.723 -1.236 . . . . 0.0 109.242 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.38 7.74 72.18 Favored Glycine 0 N--CA 1.495 2.6 0 N-CA-C 110.371 -1.092 . . . . 0.0 110.371 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -83.39 137.06 42.36 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.131 -1.217 . . . . 0.0 108.877 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.05 140.67 28.61 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.984 1.789 . . . . 0.0 112.289 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD22 ' OD1' ' A' ' 14' ' ' ASN . 82.4 mt -140.26 149.41 42.81 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.498 -0.751 . . . . 0.0 109.767 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -75.44 -169.25 0.97 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.079 -1.013 . . . . 0.0 109.127 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.516 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.6 p-10 -72.66 -47.89 43.74 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.968 -1.082 . . . . 0.0 111.708 -178.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.61 -50.56 68.9 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.875 -1.141 . . . . 0.0 112.171 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 96.3 m -57.81 -44.52 86.43 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.722 -1.236 . . . . 0.0 110.236 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.0 -48.79 81.04 Favored Glycine 0 N--CA 1.491 2.355 0 C-N-CA 120.117 -1.039 . . . . 0.0 110.741 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 62.5 mt -67.7 -48.87 65.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.009 -1.289 . . . . 0.0 110.955 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 29.0 t80 -69.83 -50.86 38.74 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.908 -1.12 . . . . 0.0 111.505 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 tp -60.06 -49.26 78.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.055 -1.028 . . . . 0.0 110.314 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -60.0 -43.92 94.89 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.036 -1.04 . . . . 0.0 110.356 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.3 mt -69.98 -39.15 76.1 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.234 -0.917 . . . . 0.0 111.4 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 78.8 m80 -86.81 -40.09 15.29 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.002 -1.061 . . . . 0.0 112.029 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.94 14.2 75.89 Favored Glycine 0 N--CA 1.492 2.425 0 O-C-N 120.365 -1.46 . . . . 0.0 110.9 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.5 m -138.83 174.96 8.83 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.996 -1.296 . . . . 0.0 108.979 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -55.47 147.4 3.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 O-C-N 121.385 -0.822 . . . . 0.0 110.051 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 49' ' ' LEU . 19.9 ttp180 -122.02 118.86 29.04 Favored Pre-proline 0 N--CA 1.492 1.628 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -49.47 92.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.313 -1.302 0 C-N-CA 120.866 1.044 . . . . 0.0 110.354 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' ARG . 44.6 mt -55.93 -16.8 5.22 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.41 -0.806 . . . . 0.0 109.812 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.5 m -63.23 -10.94 17.74 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.097 -1.002 . . . . 0.0 110.198 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.6 mt -78.74 -36.07 43.74 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.952 -1.093 . . . . 0.0 109.062 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.45 159.12 0.06 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.533 -0.729 . . . . 0.0 110.066 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 t -148.05 166.83 26.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -93.43 -0.94 56.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.075 -1.016 . . . . 0.0 108.968 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 51.3 t -112.1 132.16 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 82.2 mt -102.96 139.03 24.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -81.43 121.04 25.75 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.346 -0.846 . . . . 0.0 109.412 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -85.96 122.2 29.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.211 -0.931 . . . . 0.0 110.069 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -99.89 -179.8 4.28 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.516 -0.74 . . . . 0.0 109.226 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.12 -179.12 3.66 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 122.089 0.947 . . . . 0.0 110.751 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -146.79 157.7 43.73 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -84.82 156.1 21.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.154 -0.966 . . . . 0.0 109.846 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.0 t -63.52 130.06 42.8 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.189 -0.944 . . . . 0.0 109.172 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.81 67.14 0.96 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.467 -0.77 . . . . 0.0 109.211 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -135.92 7.73 3.22 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.414 ' OXT' ' OG ' ' A' ' 66' ' ' SER . 14.7 t . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.53 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.37 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 0 O4'-C1'-N19 110.766 3.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.407 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.695 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.407 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.917 0 O4'-C1'-N19 110.82 3.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 112.086 5.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.477 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.011 1 O4'-C1'-N19 111.072 4.09 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.639 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.447 2.05 1 O4'-C1'-N19 111.142 4.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.544 0 O4'-C1'-N19 110.718 3.647 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.64 4.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.832 1 O4'-C1'-N19 111.511 4.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.783 1 O4'-C1'-N19 111.296 4.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.995 0 O4'-C1'-N19 110.816 3.77 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.29 0 O4'-C1'-N19 110.663 3.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.607 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.902 0 O4'-C1'-N19 110.847 3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.577 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.416 ' C2 ' ' C2 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.307 1 O4'-C1'-N19 112.116 5.395 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.346 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.54 1 O4'-C1'-N19 111.447 4.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 1 O4'-C1'-N19 111.032 4.04 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.586 0 O4'-C1'-N19 110.73 3.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 0 O4'-C1'-N19 110.3 3.125 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 tpp . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -70.28 140.09 52.27 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.134 -0.979 . . . . 0.0 109.931 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.484 ' O ' ' N ' ' A' ' 5' ' ' GLU . 54.4 t-20 -114.43 29.63 7.88 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.54 -76.18 0.03 OUTLIER Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 3' ' ' ASN . 88.4 tt0 -136.2 147.85 47.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.371 -1.076 . . . . 0.0 108.769 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -139.93 161.72 36.92 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.172 -0.955 . . . . 0.0 110.137 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 58.0 t30 60.86 167.02 0.09 Allowed 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.6 -178.05 34.24 Favored Glycine 0 N--CA 1.489 2.226 0 N-CA-C 109.715 -1.354 . . . . 0.0 109.715 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.25 123.16 7.01 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.714 2.276 . . . . 0.0 112.0 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.5 m -83.1 147.47 28.08 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.292 -0.88 . . . . 0.0 109.039 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.5 m -133.0 136.31 45.97 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.15 -0.969 . . . . 0.0 109.599 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.5 t -79.84 110.47 15.23 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.892 . . . . 0.0 108.788 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -63.82 -11.82 30.47 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.421 -0.8 . . . . 0.0 110.004 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.541 ' ND2' HD22 ' A' ' 32' ' ' LEU . 64.7 m-20 -99.14 -33.96 10.57 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.0 -1.063 . . . . 0.0 111.399 -179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.8 p -138.74 17.19 2.69 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.679 -1.263 . . . . 0.0 111.572 -178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 55.84 0.11 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.083 -1.011 . . . . 0.0 112.048 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.492 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 26.6 m -59.75 128.17 35.63 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.291 -1.506 . . . . 0.0 109.196 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -106.99 -3.09 20.47 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.727 -0.608 . . . . 0.0 109.394 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -120.09 129.99 54.44 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -167.26 149.54 5.57 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.923 -1.11 . . . . 0.0 110.159 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -65.08 -27.24 57.47 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.534 2.156 . . . . 0.0 112.161 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -159.69 143.37 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.246 -0.909 . . . . 0.0 109.565 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -92.96 130.0 38.69 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.398 -0.814 . . . . 0.0 111.008 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -105.68 171.06 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -144.75 171.01 15.01 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.386 -0.821 . . . . 0.0 109.594 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.573 ' O ' ' N ' ' A' ' 28' ' ' GLU . 10.8 t30 -133.77 147.3 63.82 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -44.29 -0.81 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 122.588 2.192 . . . . 0.0 114.812 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.573 ' N ' ' O ' ' A' ' 26' ' ' ASN . 4.0 mp0 -96.56 -14.69 22.07 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.621 -1.3 . . . . 0.0 108.0 178.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.53 9.79 68.68 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 110.081 -1.208 . . . . 0.0 110.081 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -87.47 114.15 57.43 Favored Pre-proline 0 N--CA 1.492 1.633 0 O-C-N 121.28 -1.129 . . . . 0.0 108.108 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -55.84 147.76 60.16 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.228 1.285 . . . . 0.0 112.824 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.541 HD22 ' ND2' ' A' ' 14' ' ' ASN . 92.2 mt -140.38 150.32 43.77 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.5 p -75.13 -175.83 2.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.119 -0.988 . . . . 0.0 108.76 178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.514 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 35.3 p-10 -66.72 -48.35 69.47 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.033 -1.042 . . . . 0.0 111.552 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.67 -51.17 68.29 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.794 -1.191 . . . . 0.0 112.221 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.34 -44.28 92.67 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.606 -1.309 . . . . 0.0 110.493 -178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.61 -49.95 68.76 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 88.8 mt -65.19 -50.02 67.52 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.431 -1.041 . . . . 0.0 110.509 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.627 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.2 t80 -73.1 -50.46 22.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.284 -0.885 . . . . 0.0 112.237 -178.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.81 -47.63 85.49 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.914 -1.116 . . . . 0.0 110.384 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -60.31 -45.01 94.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.895 -1.128 . . . . 0.0 109.329 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 93.1 mt -69.93 -40.07 75.73 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.417 -0.802 . . . . 0.0 111.679 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.627 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -85.34 -38.63 18.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.804 -1.185 . . . . 0.0 111.243 -177.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 9.16 70.9 Favored Glycine 0 N--CA 1.494 2.555 0 O-C-N 120.405 -1.435 . . . . 0.0 111.229 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 m -132.74 170.05 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.22 -1.165 . . . . 0.0 108.269 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.8 m -54.71 151.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.507 0 O-C-N 121.083 -1.011 . . . . 0.0 109.686 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -122.26 117.75 29.22 Favored Pre-proline 0 N--CA 1.494 1.751 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.593 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -42.34 90.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.401 1.401 . . . . 0.0 111.036 178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 47' ' ' ARG . 76.1 mt -55.91 -16.6 4.92 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.41 -0.807 . . . . 0.0 109.242 -179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 75.3 m -60.76 -10.17 5.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.399 -0.813 . . . . 0.0 109.384 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.8 mt -79.35 -33.92 42.58 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.13 -0.981 . . . . 0.0 108.518 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -48.11 153.72 0.65 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.427 -0.795 . . . . 0.0 110.349 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.72 173.05 15.74 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -92.59 0.03 57.38 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.857 -1.152 . . . . 0.0 109.132 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.78 138.25 51.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.98 149.15 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.422 -0.799 . . . . 0.0 109.645 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -82.46 115.8 21.63 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -84.73 119.49 25.34 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.111 -0.993 . . . . 0.0 110.059 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -97.04 174.74 6.61 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.347 -0.846 . . . . 0.0 109.104 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -82.59 -163.46 0.7 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.792 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' A' ' 61' ' ' ARG . 20.5 mtt-85 -145.0 149.77 35.72 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -156.52 115.84 3.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.208 -0.932 . . . . 0.0 109.375 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.4 m -98.05 -128.24 0.17 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.353 -0.842 . . . . 0.0 109.368 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 49.98 -148.45 0.3 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.293 -0.88 . . . . 0.0 109.396 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -105.8 116.85 32.65 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.344 -0.848 . . . . 0.0 109.279 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.612 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.722 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.358 0 C3'-C2'-C1' 107.077 3.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.535 1 O4'-C1'-N19 111.883 5.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 1 O4'-C1'-N19 111.591 4.739 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.441 3.301 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . 0.426 ' OP1' ' NZ ' ' A' ' 41' ' ' LYS . . . . . . . . 0 C5'--C4' 1.534 2.842 1 O4'-C1'-N19 111.724 4.904 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.538 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 3.191 0 O4'-C1'-N19 110.906 3.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.25 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.637 1 O4'-C1'-N19 111.022 4.027 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.952 3.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.326 3.157 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.094 1 O4'-C1'-N19 111.021 4.026 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.654 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.564 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 1 O4'-C1'-N19 111.108 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.476 0 O4'-C1'-N19 110.926 3.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.873 1 O4'-C1'-N19 111.436 4.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.291 1 O4'-C1'-N19 111.22 4.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.497 ' OP1' ' NE ' ' A' ' 61' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.274 0 C3'-C2'-C1' 107.059 3.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.392 4.489 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.014 0 O4'-C1'-N19 110.95 3.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.811 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.716 1 O4'-C1'-N19 111.107 4.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -100.04 125.34 46.09 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.419 -0.801 . . . . 0.0 109.782 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -103.09 5.48 38.01 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.323 -0.861 . . . . 0.0 109.29 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.49 -76.02 0.43 Allowed Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.934 -1.266 . . . . 0.0 109.934 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -116.11 118.48 32.97 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.534 -0.98 . . . . 0.0 108.672 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -81.85 129.28 34.7 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.192 -0.943 . . . . 0.0 109.528 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -71.59 158.97 35.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.168 -0.958 . . . . 0.0 108.475 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' PRO . . . -118.83 175.43 15.71 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.781 -1.727 . . . . 0.0 108.781 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' O ' ' O ' ' A' ' 8' ' ' GLY . 87.0 Cg_exo -47.53 -162.15 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.694 0 C-N-CA 122.985 2.457 . . . . 0.0 113.143 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.2 m -47.32 132.25 13.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.801 -1.187 . . . . 0.0 109.454 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 m -133.26 139.38 46.91 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.486 -0.759 . . . . 0.0 109.614 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.2 t -71.83 111.66 7.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.36 -0.837 . . . . 0.0 109.355 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.6 p -66.53 -12.27 56.82 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.884 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.445 ' ND2' HD22 ' A' ' 32' ' ' LEU . 82.5 m-20 -97.81 -31.57 12.16 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 120.788 -1.195 . . . . 0.0 110.961 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -137.17 15.24 3.03 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.715 -1.241 . . . . 0.0 111.07 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 57.71 1.44 0.13 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.271 -0.893 . . . . 0.0 111.993 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -58.39 123.34 15.83 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.333 -1.479 . . . . 0.0 110.257 -178.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -100.27 -14.02 18.62 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -112.45 127.88 56.16 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.498 -0.751 . . . . 0.0 109.047 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -165.0 150.29 8.41 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.087 -1.008 . . . . 0.0 110.337 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -64.91 -28.49 58.4 Favored 'Trans proline' 0 N--CA 1.499 1.824 0 C-N-CA 122.63 2.22 . . . . 0.0 112.522 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.7 p -164.39 144.37 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.017 -1.052 . . . . 0.0 109.674 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -92.24 132.59 36.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.326 -0.859 . . . . 0.0 110.266 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -99.75 168.89 9.63 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.49 -0.756 . . . . 0.0 109.326 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -133.36 158.57 42.67 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.595 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.2 t30 -131.0 145.23 56.86 Favored Pre-proline 0 N--CA 1.495 1.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 -178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_exo -44.75 -2.9 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.708 0 C-N-CA 122.106 1.871 . . . . 0.0 113.602 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 26' ' ' ASN . 80.5 mm-40 -95.7 -19.99 19.25 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.746 -1.221 . . . . 0.0 108.035 178.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.57 10.88 61.37 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.556 -1.017 . . . . 0.0 110.556 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -87.78 137.81 31.65 Favored Pre-proline 0 N--CA 1.496 1.862 0 O-C-N 121.007 -1.29 . . . . 0.0 108.92 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.79 141.55 27.44 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.94 1.76 . . . . 0.0 111.867 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD22 ' ND2' ' A' ' 14' ' ' ASN . 69.1 mt -139.96 151.43 45.53 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.559 -0.713 . . . . 0.0 110.256 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.6 p -76.18 178.5 6.37 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.736 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -68.57 -41.81 79.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.619 -1.3 . . . . 0.0 110.677 -179.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.609 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -61.43 -54.25 45.97 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.747 -1.221 . . . . 0.0 111.559 -178.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.41 -44.25 88.95 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 120.518 -1.364 . . . . 0.0 109.501 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.17 -47.97 88.46 Favored Glycine 0 N--CA 1.487 2.05 0 N-CA-C 109.183 -1.567 . . . . 0.0 109.183 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 90.0 mt -70.61 -57.07 5.11 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.441 -1.035 . . . . 0.0 110.959 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 47.5 t80 -60.39 -50.0 75.33 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.117 -0.989 . . . . 0.0 111.336 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.08 -48.14 82.95 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.098 -1.001 . . . . 0.0 110.51 -178.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' NZ ' ' OP1' ' B' ' 105' ' ' ' DG' . 69.2 tttt -62.96 -45.61 91.64 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.106 -0.996 . . . . 0.0 110.87 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 98.8 mt -69.58 -41.75 75.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.131 -0.981 . . . . 0.0 111.183 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 74.9 m80 -86.05 -39.37 16.87 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.727 -1.233 . . . . 0.0 110.545 -178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.61 8.69 81.58 Favored Glycine 0 N--CA 1.49 2.299 0 O-C-N 120.822 -1.174 . . . . 0.0 110.745 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -140.68 144.16 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.973 -1.31 . . . . 0.0 110.515 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.9 m -57.21 154.43 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.692 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' PRO . 10.1 tpt180 -148.96 136.45 11.05 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' N ' ' A' ' 50' ' ' SER . 29.3 Cg_exo -30.45 94.7 0.01 OUTLIER 'Trans proline' 0 N--CA 1.487 1.108 0 C-N-CA 122.501 2.134 . . . . 0.0 113.255 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.8 mt -57.59 -11.49 2.1 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.435 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.0 t -59.15 -7.86 1.33 Allowed 'General case' 0 N--CA 1.491 1.583 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -76.46 -34.82 58.7 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CG ' ' N ' ' A' ' 53' ' ' THR . 44.4 tttp -43.28 161.4 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.287 1.041 . . . . 0.0 111.293 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.494 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -149.85 166.81 28.39 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -95.64 8.91 42.06 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.904 -1.123 . . . . 0.0 109.043 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.3 t -125.59 140.02 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 77.9 mt -118.23 130.06 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.705 . . . . 0.0 109.565 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -82.07 134.48 35.34 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.099 -1.001 . . . . 0.0 109.254 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -85.61 126.64 34.06 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' A' ' 59' ' ' ARG . 24.3 mmm-85 -97.01 170.72 8.96 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.193 -0.942 . . . . 0.0 109.775 -178.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.3 p-10 -85.63 -156.23 0.27 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.497 ' NE ' ' OP1' ' C' ' 122' ' ' ' DC' . 5.9 mtp180 -137.61 101.7 4.55 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -97.21 -3.12 41.44 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.038 -1.039 . . . . 0.0 110.152 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -90.43 3.9 52.52 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -57.39 140.07 51.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -107.13 124.74 50.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.462 -0.774 . . . . 0.0 109.48 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.327 179.776 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.69 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.65 0 C3'-C2'-C1' 106.947 3.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.453 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.489 0 O4'-C1'-N19 110.778 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.273 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.756 4.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.544 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.761 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.525 1.767 1 O4'-C1'-N19 112.043 5.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.464 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 0 O4'-C1'-N19 110.973 3.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.46 0 O4'-C1'-N19 110.972 3.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.628 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.914 1 O4'-C1'-N19 111.23 4.288 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.925 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.571 4.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.929 0 O4'-C1'-N19 110.627 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.393 1 O4'-C1'-N19 111.076 4.096 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.4 H2'' " O5'" ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.559 3.449 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.4 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.543 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.579 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 C3'-C2'-C1' 106.828 2.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.801 3.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 O4'-C1'-N19 111.17 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.063 0 O4'-C1'-N19 110.467 3.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.652 0 O4'-C1'-N19 110.859 3.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.507 ' SD ' ' O ' ' A' ' 1' ' ' MET . 10.0 tmm? . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.246 0.546 . . . . 0.0 109.625 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.03 144.92 56.43 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.946 -1.096 . . . . 0.0 109.993 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 5' ' ' GLU . 98.0 m-20 52.66 -119.7 1.55 Allowed 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.669 -0.644 . . . . 0.0 109.618 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.03 -91.12 0.01 OUTLIER Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 3' ' ' ASN . 34.3 tp10 58.81 161.65 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.537 -0.978 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 60.05 41.54 17.14 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.408 -0.807 . . . . 0.0 109.543 -179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 57.9 t-20 -60.43 -40.35 90.78 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.046 -1.034 . . . . 0.0 110.791 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.594 ' O ' ' N ' ' A' ' 10' ' ' THR . . . -174.66 -59.67 0.05 OUTLIER Glycine 0 N--CA 1.491 2.36 0 C-N-CA 118.834 -1.65 . . . . 0.0 111.632 -178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -34.51 80.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.311 -1.438 0 C-N-CA 122.928 2.418 . . . . 0.0 113.427 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.594 ' N ' ' O ' ' A' ' 8' ' ' GLY . 81.8 m -56.43 124.65 18.85 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-O 121.437 0.637 . . . . 0.0 109.742 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.3 m -130.7 137.97 49.79 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.73 -0.606 . . . . 0.0 109.381 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.99 109.35 4.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.167 -0.958 . . . . 0.0 109.274 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.3 p -64.47 -9.57 19.5 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.468 -0.77 . . . . 0.0 110.047 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -100.21 -34.11 10.15 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.01 -1.056 . . . . 0.0 111.029 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.0 p -137.91 8.2 2.75 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.012 -1.055 . . . . 0.0 111.334 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 60.08 3.21 0.48 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.173 -0.954 . . . . 0.0 112.292 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.401 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.6 m -60.07 128.96 39.41 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.374 -1.454 . . . . 0.0 109.502 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -104.74 -10.24 17.57 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.539 -0.725 . . . . 0.0 109.446 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.3 m -107.8 126.76 53.03 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.398 -0.814 . . . . 0.0 109.105 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.7 t -163.72 146.87 7.99 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.293 -0.879 . . . . 0.0 109.698 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.31 -22.53 34.02 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.25 1.967 . . . . 0.0 111.581 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 p -160.9 139.86 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.28 -0.888 . . . . 0.0 109.671 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -90.68 130.39 36.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.402 -0.811 . . . . 0.0 110.068 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -100.67 168.92 9.38 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -133.9 159.69 39.94 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.476 -0.765 . . . . 0.0 109.342 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.567 ' O ' ' N ' ' A' ' 28' ' ' GLU . 25.6 t-20 -120.02 143.15 34.78 Favored Pre-proline 0 N--CA 1.495 1.806 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -45.01 -5.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.499 1.809 0 C-N-CA 122.121 1.881 . . . . 0.0 113.177 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.9 mt-10 -96.91 -11.13 25.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.97 -1.081 . . . . 0.0 108.104 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.67 9.02 75.79 Favored Glycine 0 N--CA 1.487 2.078 0 N-CA-C 109.837 -1.305 . . . . 0.0 109.837 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 37.1 mt-30 -83.03 139.41 42.62 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.138 -1.213 . . . . 0.0 108.749 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -75.57 141.94 25.63 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 122.183 1.922 . . . . 0.0 112.456 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.5 mt -141.62 148.59 39.44 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.305 -0.872 . . . . 0.0 109.624 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.0 p -74.24 -176.55 2.66 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.094 -1.004 . . . . 0.0 108.362 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.05 -42.74 72.49 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.027 -1.045 . . . . 0.0 111.703 -178.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.685 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -64.17 -53.17 53.66 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.758 -1.214 . . . . 0.0 111.986 -178.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.519 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 89.5 m -58.97 -44.07 91.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 120.775 -1.203 . . . . 0.0 110.733 -178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.5 -46.88 93.22 Favored Glycine 0 N--CA 1.489 2.232 0 C-N-CA 119.437 -1.363 . . . . 0.0 109.978 -179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 53.7 mt -69.85 -55.59 9.35 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.182 -1.187 . . . . 0.0 110.957 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -65.73 -49.97 66.5 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.214 -0.929 . . . . 0.0 111.949 -178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 12.4 tp -60.15 -49.98 75.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.184 -0.947 . . . . 0.0 110.954 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -61.58 -42.73 99.27 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.902 -1.124 . . . . 0.0 109.986 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.71 -40.19 76.42 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.325 -0.859 . . . . 0.0 111.224 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.2 m80 -83.39 -43.98 15.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.087 -1.008 . . . . 0.0 111.041 -177.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.57 9.59 84.68 Favored Glycine 0 N--CA 1.489 2.233 0 C-N-CA 119.715 -1.231 . . . . 0.0 110.936 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.9 m -133.4 169.79 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.044 -1.268 . . . . 0.0 109.975 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.03 147.18 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.465 -0.772 . . . . 0.0 109.655 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 28.7 ttp180 -121.2 132.26 24.26 Favored Pre-proline 0 N--CA 1.496 1.85 0 N-CA-C 109.171 -0.678 . . . . 0.0 109.171 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.68 98.93 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.288 0 C-N-CA 121.36 1.373 . . . . 0.0 110.541 179.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.8 mt -59.3 -9.31 2.16 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 t -59.74 -16.45 27.57 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.29 -0.881 . . . . 0.0 108.728 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.6 mt -78.33 -41.04 34.8 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.305 -0.872 . . . . 0.0 108.811 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -43.76 153.65 0.12 Allowed 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 121.623 0.725 . . . . 0.0 110.929 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 55' ' ' VAL . 1.8 t -150.03 170.59 18.52 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -93.29 4.45 53.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.019 -1.05 . . . . 0.0 109.186 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 53' ' ' THR . 89.7 t -124.49 141.21 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 88.6 mt -116.43 132.29 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.654 -0.654 . . . . 0.0 109.29 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -80.95 129.98 34.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.167 -0.958 . . . . 0.0 109.619 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -91.59 130.98 37.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.244 -0.91 . . . . 0.0 109.462 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 60.3 mtm180 -98.2 -172.68 2.4 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.227 -0.921 . . . . 0.0 108.901 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -68.18 161.42 27.09 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 122.307 1.051 . . . . 0.0 111.212 -177.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HG3' HH11 ' A' ' 61' ' ' ARG . 43.0 mtm-85 -147.56 163.8 35.43 Favored 'General case' 0 N--CA 1.491 1.582 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.273 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -84.59 114.39 21.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.365 -0.835 . . . . 0.0 109.808 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.1 m -60.41 -44.08 96.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.498 -0.751 . . . . 0.0 109.448 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.06 169.79 7.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.943 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -103.18 128.54 50.11 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.468 -0.77 . . . . 0.0 109.139 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.978 -1.01 . . . . 0.0 109.083 179.804 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.439 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.577 0 C3'-C2'-C1' 107.078 3.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.997 0 O4'-C1'-N19 110.778 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.436 1 O4'-C1'-N19 111.993 5.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.798 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.429 1 O4'-C1'-N19 111.941 5.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.572 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.412 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.79 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.076 0 O4'-C1'-N19 110.807 3.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.81 0 O4'-C1'-N19 110.864 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.196 0 O4'-C1'-N19 110.535 3.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.134 4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.175 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.469 0 O4'-C1'-N19 110.643 3.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.71 0 O4'-C1'-N19 110.556 3.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.494 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.64 0 O4'-C1'-N19 110.828 3.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.406 " O5'" H2'' ' C' ' 118' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.527 1.956 0 O4'-C1'-N19 110.538 3.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.573 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.529 2.27 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.232 1 O4'-C1'-N19 111.449 4.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.457 0 O4'-C1'-N19 110.237 3.047 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 1 O4'-C1'-N19 111.302 4.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.362 4.453 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.703 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.996 0 O4'-C1'-N19 110.756 3.695 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ttt . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.33 0.586 . . . . 0.0 109.657 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -89.34 87.61 7.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.204 -0.935 . . . . 0.0 108.816 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -93.75 -5.58 48.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.358 -0.839 . . . . 0.0 109.068 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.82 49.35 5.72 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.49 81.45 8.72 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.361 -1.082 . . . . 0.0 109.042 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -148.19 -89.8 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -136.48 143.75 43.98 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.38 129.53 22.89 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -80.69 -105.54 0.0 OUTLIER 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 122.073 1.849 . . . . 0.0 112.177 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 91.0 m -50.08 132.64 23.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.58 -0.7 . . . . 0.0 109.852 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.6 m -129.91 135.52 48.44 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.9 t -66.83 109.97 3.11 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.307 -0.871 . . . . 0.0 110.247 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 68.8 p -66.85 -9.7 40.41 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.654 -0.654 . . . . 0.0 110.284 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.494 ' OD1' HD22 ' A' ' 32' ' ' LEU . 3.4 m120 -97.68 -35.23 10.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.847 -1.158 . . . . 0.0 110.783 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.1 p -138.03 11.48 2.85 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.977 -1.077 . . . . 0.0 110.879 -178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 59.05 2.41 0.26 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.369 -0.832 . . . . 0.0 111.426 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.501 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.4 m -57.84 128.54 37.57 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.124 -1.61 . . . . 0.0 109.012 -178.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -102.47 -4.31 25.58 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.783 -0.573 . . . . 0.0 109.855 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -117.72 127.93 54.4 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 t -161.94 146.13 9.65 Favored Pre-proline 0 N--CA 1.492 1.666 0 O-C-N 121.227 -0.921 . . . . 0.0 109.569 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -65.2 -24.36 58.78 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 121.189 1.259 . . . . 0.0 110.811 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.788 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.4 p -165.61 147.46 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.354 -0.841 . . . . 0.0 109.773 178.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -88.19 130.86 34.95 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.784 -1.197 . . . . 0.0 109.678 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -99.78 172.06 7.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.483 HH11 ' HG2' ' A' ' 25' ' ' ARG . 38.8 mtt-85 -137.27 159.0 43.19 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.379 -0.826 . . . . 0.0 110.131 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.605 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.5 t-20 -126.24 147.55 60.17 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -43.08 -3.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.223 1.949 . . . . 0.0 114.066 178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.605 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.7 mt-10 -96.58 -14.3 22.32 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.748 -1.22 . . . . 0.0 108.461 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.66 10.77 72.41 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -85.63 143.77 38.92 Favored Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.218 -1.166 . . . . 0.0 108.891 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.55 134.62 15.48 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 122.214 1.942 . . . . 0.0 111.748 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD22 ' OD1' ' A' ' 14' ' ' ASN . 94.9 mt -133.62 146.0 50.53 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -76.16 176.4 8.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.054 -1.028 . . . . 0.0 109.037 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.788 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 21.6 m-80 -60.54 -49.5 77.31 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.296 -0.878 . . . . 0.0 111.366 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.6 55.78 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.951 -1.093 . . . . 0.0 111.61 -177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 81.0 m -59.52 -42.9 93.32 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.427 -1.421 . . . . 0.0 110.158 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.4 68.06 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.3 mt -66.42 -49.38 66.93 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.278 -1.131 . . . . 0.0 109.781 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 63.1 t80 -66.71 -49.59 65.57 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.568 -0.708 . . . . 0.0 111.758 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.2 tp -59.87 -48.91 79.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -0.907 . . . . 0.0 110.214 -177.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -63.39 -45.25 91.93 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.675 -1.266 . . . . 0.0 110.191 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.5 mt -69.93 -44.06 70.39 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.101 -0.999 . . . . 0.0 111.708 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.586 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 48.5 m80 -83.32 -42.98 16.49 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.751 -1.218 . . . . 0.0 110.046 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.91 9.74 60.17 Favored Glycine 0 N--CA 1.49 2.288 0 O-C-N 120.714 -1.241 . . . . 0.0 110.767 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 m -138.59 140.5 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 120.999 -1.295 . . . . 0.0 110.367 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.38 143.14 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 CA-C-O 121.519 0.676 . . . . 0.0 110.57 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 52.0 ttt180 -151.41 137.67 11.38 Favored Pre-proline 0 N--CA 1.495 1.785 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.424 ' C ' ' H ' ' A' ' 50' ' ' SER . 32.5 Cg_exo -28.56 106.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 122.667 2.245 . . . . 0.0 114.271 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' ' 14' ' ' ASN . 67.9 mt -60.16 -8.21 2.33 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 48' ' ' PRO . 90.9 p -58.11 -8.29 1.03 Allowed 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.4 mt -71.23 -38.75 71.96 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 178.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 3.6 tmtm? -51.21 155.29 1.38 Allowed 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 121.824 0.821 . . . . 0.0 110.466 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -147.92 166.65 27.04 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -91.96 -0.35 57.48 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.043 -1.036 . . . . 0.0 108.993 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.8 t -112.19 132.45 60.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 73.7 mt -104.25 134.7 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.428 -0.795 . . . . 0.0 109.521 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -82.24 118.29 23.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.239 -0.913 . . . . 0.0 108.884 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -89.82 126.02 35.54 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 65.1 mtm180 -98.7 -175.53 3.09 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.228 -0.92 . . . . 0.0 108.871 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -75.62 -171.01 1.41 Allowed 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.621 -0.674 . . . . 0.0 109.602 -178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -146.05 159.54 43.14 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.362 -0.836 . . . . 0.0 109.283 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -154.04 116.54 4.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.448 -0.782 . . . . 0.0 109.858 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.6 m -129.8 151.37 50.46 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.89 141.71 54.93 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.225 -0.922 . . . . 0.0 110.205 -179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -60.7 -40.75 93.42 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 108.808 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.497 1.895 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.17 179.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.431 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.359 3.198 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.889 3.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.297 1 O4'-C1'-N19 111.985 5.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 C3'-C2'-C1' 106.861 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.449 1 O4'-C1'-N19 111.819 5.024 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.924 3.905 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.98 1 O4'-C1'-N19 111.674 4.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.56 1 O4'-C1'-N19 111.132 4.165 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.63 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 1 O4'-C1'-N19 111.136 4.17 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.19 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 0 O4'-C1'-N19 110.729 3.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.727 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 O4'-C1'-N19 111.122 4.153 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.001 1 O4'-C1'-N19 111.135 4.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.575 3.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.308 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.484 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.616 0 O4'-C1'-N19 110.684 3.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.483 4.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.558 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.79 1 O4'-C1'-N19 111.235 4.294 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.344 1 O4'-C1'-N19 111.925 5.157 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.639 0 O4'-C1'-N19 110.362 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.132 1 O4'-C1'-N19 111.232 4.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.372 0 O4'-C1'-N19 110.609 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.404 0 O4'-C1'-N19 110.424 3.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.5 tpt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.286 0.565 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.565 ' O ' ' N ' ' A' ' 4' ' ' GLY . 98.3 mttt -60.44 -40.0 89.52 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.344 -0.848 . . . . 0.0 109.905 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 64.27 -61.06 0.19 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.5 -0.75 . . . . 0.0 109.509 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 2' ' ' LYS . . . 53.34 28.93 36.8 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' GLN . 98.1 mt-10 50.76 -178.89 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.043 -1.269 . . . . 0.0 110.31 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' GLU . 87.2 mt-30 35.48 -96.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 121.32 0.581 . . . . 0.0 110.572 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' GLU . 45.9 t-20 49.92 39.96 19.75 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.359 -0.838 . . . . 0.0 109.758 179.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 10' ' ' THR . . . 163.81 98.69 0.13 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 107.613 -2.195 . . . . 0.0 107.613 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -43.97 89.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.021 1.814 . . . . 0.0 113.342 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 8' ' ' GLY . 36.8 m -65.8 114.41 5.03 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.442 -0.786 . . . . 0.0 109.526 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.9 m -132.51 136.7 46.82 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -64.86 108.61 1.81 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.007 -1.058 . . . . 0.0 109.306 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.8 p -66.25 -9.99 37.83 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.541 -0.724 . . . . 0.0 110.159 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -98.44 -34.09 10.77 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.887 -1.133 . . . . 0.0 110.769 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.6 p -137.97 10.9 2.85 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.831 -1.168 . . . . 0.0 111.081 -178.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 59.57 2.58 0.35 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.253 -0.904 . . . . 0.0 112.542 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m -59.4 126.29 27.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.222 -1.549 . . . . 0.0 109.099 -179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -101.63 -15.66 16.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.633 -0.667 . . . . 0.0 109.344 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -104.01 129.89 51.64 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.403 -0.811 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.498 ' OG1' ' ND2' ' A' ' 34' ' ' ASN . 1.2 t -162.92 148.85 10.0 Favored Pre-proline 0 N--CA 1.491 1.596 0 O-C-N 121.042 -1.037 . . . . 0.0 109.779 -179.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -62.86 -26.44 74.62 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.636 1.557 . . . . 0.0 110.839 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.771 ' H ' ' ND2' ' A' ' 34' ' ' ASN . 7.6 p -167.43 145.61 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.258 -0.901 . . . . 0.0 110.004 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -86.71 132.57 33.83 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.79 -1.194 . . . . 0.0 110.372 -179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -103.47 171.39 7.39 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -134.75 159.01 42.67 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.375 -0.828 . . . . 0.0 108.8 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.564 ' O ' ' N ' ' A' ' 28' ' ' GLU . 11.7 t-20 -120.75 146.93 44.71 Favored Pre-proline 0 N--CA 1.495 1.786 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -47.75 -4.03 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 121.302 1.335 . . . . 0.0 112.416 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -98.34 -16.4 19.35 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.078 -1.014 . . . . 0.0 108.596 178.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.05 11.56 64.85 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.863 -1.295 . . . . 0.0 109.863 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -86.86 115.36 62.19 Favored Pre-proline 0 N--CA 1.491 1.621 0 O-C-N 121.273 -1.133 . . . . 0.0 109.117 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -56.67 143.68 88.61 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.244 1.296 . . . . 0.0 112.233 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 88.0 mt -142.22 152.13 42.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.664 -0.647 . . . . 0.0 109.383 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 14.8 p -76.58 -179.02 5.01 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.082 . . . . 0.0 108.857 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.771 ' ND2' ' H ' ' A' ' 22' ' ' VAL . 27.4 m-80 -68.63 -48.05 65.04 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.972 -1.08 . . . . 0.0 111.729 -178.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.92 -52.49 65.2 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.535 -1.353 . . . . 0.0 111.813 -177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.8 m -57.04 -43.58 82.1 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.652 -1.28 . . . . 0.0 110.559 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.58 -42.95 99.64 Favored Glycine 0 N--CA 1.49 2.266 0 C-N-CA 119.905 -1.141 . . . . 0.0 110.858 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' CD1' ' N7 ' ' C' ' 120' ' ' ' DA' . 90.9 mt -68.08 -50.05 57.44 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.009 -1.289 . . . . 0.0 111.814 -178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 37.1 t80 -78.6 -48.84 14.34 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.599 -1.313 . . . . 0.0 112.258 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.07 -49.95 75.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.961 -1.087 . . . . 0.0 109.886 -176.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -60.97 -44.38 97.43 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.986 -1.071 . . . . 0.0 110.535 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.1 mt -70.03 -32.19 70.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.033 -1.042 . . . . 0.0 111.452 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 69.2 m80 -96.65 -29.72 13.66 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.769 -1.207 . . . . 0.0 112.352 -177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.12 8.9 75.53 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.296 -1.502 . . . . 0.0 111.027 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.1 m -139.93 141.58 33.8 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 120.955 -1.32 . . . . 0.0 109.73 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.0 m -57.5 146.19 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-O 121.454 0.645 . . . . 0.0 110.111 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.553 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.2 OUTLIER -125.52 135.8 27.43 Favored Pre-proline 0 N--CA 1.497 1.88 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' ARG . 61.2 Cg_exo -35.24 104.18 0.04 OUTLIER 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.97 1.78 . . . . 0.0 112.259 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.7 mt -58.84 -11.0 2.76 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.5 m -59.96 -11.48 5.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.59 -0.694 . . . . 0.0 109.471 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.3 mt -77.73 -40.06 42.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.135 -0.978 . . . . 0.0 108.456 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -47.17 157.64 0.18 Allowed 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.709 0.766 . . . . 0.0 110.142 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 t -148.74 169.11 21.16 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -96.14 9.01 42.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.004 -1.06 . . . . 0.0 109.848 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.9 p -128.72 143.07 42.27 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.29 135.31 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -79.31 129.48 34.5 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.026 -1.046 . . . . 0.0 108.786 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -83.74 122.97 29.36 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.579 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -101.65 -178.88 3.85 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.599 -0.688 . . . . 0.0 109.34 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -76.46 -176.31 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.955 -1.091 . . . . 0.0 111.405 -176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -146.41 157.99 43.84 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.611 0.719 . . . . 0.0 110.094 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -82.08 118.96 23.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -0.835 . . . . 0.0 110.07 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.4 m -73.25 127.5 32.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.324 -0.86 . . . . 0.0 109.425 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -164.57 -45.4 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.169 -0.957 . . . . 0.0 109.643 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 66' ' ' SER . 40.1 t30 -165.42 -150.83 0.13 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.229 -0.92 . . . . 0.0 109.434 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.573 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 12.8 t . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.491 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.797 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.694 0 O4'-C1'-N19 110.295 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.774 3.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 1 O4'-C1'-N19 111.493 4.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.529 0 C3'-C2'-C1' 106.938 3.027 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.694 4.868 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.348 1 O4'-C1'-N19 111.161 4.201 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.999 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.885 0 O4'-C1'-N19 110.875 3.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 0 O4'-C1'-N19 110.807 3.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 0 O4'-C1'-N19 110.854 3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.88 1 O4'-C1'-N19 111.082 4.102 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.146 1 O4'-C1'-N19 111.267 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.443 1.805 1 O4'-C1'-N19 111.456 4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.562 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.495 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 0 O4'-C1'-N19 110.693 3.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.715 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.993 1 O4'-C1'-N19 111.138 4.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.442 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.449 2.206 1 O4'-C1'-N19 111.647 4.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.408 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.529 2.194 1 O4'-C1'-N19 111.481 4.601 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.345 0 O4'-C1'-N19 110.576 3.47 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.891 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.069 1 O4'-C1'-N19 111.149 4.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 0 O4'-C1'-N19 110.532 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.764 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.499 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 3' ' ' ASN . 63.9 mttp -87.93 127.11 35.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.146 -0.971 . . . . 0.0 109.4 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' A' ' 2' ' ' LYS . 30.5 m120 44.75 -169.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.385 -0.822 . . . . 0.0 110.04 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -139.37 -89.65 0.19 Allowed Glycine 0 N--CA 1.498 2.791 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.505 ' C ' ' O ' ' A' ' 4' ' ' GLY . 0.5 OUTLIER -22.49 98.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 CA-C-O 121.817 0.817 . . . . 0.0 111.827 -178.787 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' A' ' 4' ' ' GLY . 98.1 mt-30 51.12 -137.57 1.15 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -179.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 m120 49.97 44.62 25.52 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.525 -1.359 . . . . 0.0 109.339 -179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -130.0 76.16 0.41 Allowed Glycine 0 N--CA 1.496 2.64 0 N-CA-C 109.271 -1.531 . . . . 0.0 109.271 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.09 12.49 0.36 Allowed 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.158 1.905 . . . . 0.0 111.714 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 8' ' ' GLY . 90.9 m -50.45 127.43 17.56 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.916 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.7 m -130.07 139.34 50.98 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -70.54 110.28 5.32 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.839 -1.163 . . . . 0.0 110.029 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.9 p -66.88 -11.55 56.31 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.794 -0.566 . . . . 0.0 110.78 -179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.586 ' ND2' HD22 ' A' ' 32' ' ' LEU . 93.5 m-20 -98.99 -32.19 11.42 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.883 -1.136 . . . . 0.0 110.823 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.544 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 13.4 p -137.68 14.12 2.93 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 120.805 -1.184 . . . . 0.0 110.649 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 58.78 0.58 0.16 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.315 -0.866 . . . . 0.0 111.711 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.474 ' HA ' ' HZ1' ' A' ' 52' ' ' LYS . 6.7 m -54.54 125.12 18.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.382 -1.449 . . . . 0.0 109.657 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -103.92 -11.59 17.37 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 97.0 m -115.86 129.99 56.65 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.37 149.42 8.64 Favored Pre-proline 0 N--CA 1.489 1.494 0 O-C-N 121.002 -1.061 . . . . 0.0 109.843 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -56.26 -33.02 89.92 Favored 'Trans proline' 0 C--N 1.313 -1.299 0 C-N-CA 121.596 1.531 . . . . 0.0 111.259 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.635 ' CG1' HD21 ' A' ' 34' ' ' ASN . 3.5 p -166.23 153.84 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.325 -0.859 . . . . 0.0 109.105 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.1 m95 -91.4 132.23 36.34 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.357 -0.84 . . . . 0.0 109.852 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -102.84 173.51 6.29 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -138.69 161.0 38.25 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.336 -0.853 . . . . 0.0 109.115 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.4 t30 -129.06 146.97 62.92 Favored Pre-proline 0 N--CA 1.496 1.851 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -44.76 -3.03 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.164 1.909 . . . . 0.0 113.521 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 26' ' ' ASN . 94.2 mt-10 -96.46 -18.75 19.65 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.831 -1.168 . . . . 0.0 108.624 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.95 9.04 62.8 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.524 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 26.8 pt20 -87.67 145.5 37.19 Favored Pre-proline 0 N--CA 1.496 1.861 0 O-C-N 120.884 -1.363 . . . . 0.0 109.429 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -81.55 131.91 7.61 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.556 2.171 . . . . 0.0 112.619 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.586 HD22 ' ND2' ' A' ' 14' ' ' ASN . 72.4 mt -134.64 150.74 50.7 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.598 -0.689 . . . . 0.0 110.201 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.1 p -77.04 178.59 6.86 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.477 -0.764 . . . . 0.0 109.06 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.635 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.6 m120 -62.62 -47.56 83.22 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.066 -1.021 . . . . 0.0 111.202 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.96 62.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.891 -1.131 . . . . 0.0 112.08 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.402 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 93.4 m -60.14 -41.17 92.14 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.632 -1.293 . . . . 0.0 110.539 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.36 -47.25 72.28 Favored Glycine 0 N--CA 1.488 2.111 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.7 mt -67.59 -48.76 65.92 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.411 -1.052 . . . . 0.0 110.149 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.9 t80 -72.37 -49.98 30.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.256 -0.902 . . . . 0.0 112.529 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.1 tp -60.23 -50.04 75.23 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.878 -1.139 . . . . 0.0 110.863 -177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -63.03 -43.91 97.4 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.014 -1.054 . . . . 0.0 110.4 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.67 -39.95 76.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.044 -1.035 . . . . 0.0 110.94 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 49.8 m80 -83.9 -41.92 16.9 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.952 -1.093 . . . . 0.0 111.217 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.95 11.15 81.28 Favored Glycine 0 N--CA 1.492 2.374 0 C-N-CA 119.22 -1.467 . . . . 0.0 110.666 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 m -137.95 170.06 17.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.211 -1.17 . . . . 0.0 109.039 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.65 148.17 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.321 -0.862 . . . . 0.0 110.663 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 49' ' ' LEU . 32.0 ttp180 -118.59 118.74 33.36 Favored Pre-proline 0 N--CA 1.496 1.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -45.06 86.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.185 0 C-N-CA 121.246 1.298 . . . . 0.0 110.053 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 47' ' ' ARG . 78.9 mt -58.17 -12.67 3.76 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.269 -0.894 . . . . 0.0 108.636 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -60.06 -9.89 3.67 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.9 mt -77.84 -29.69 50.66 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 20.9 tptm -41.15 141.34 0.66 Allowed 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.105 0.955 . . . . 0.0 110.992 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.59 166.15 29.15 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -97.19 5.59 49.88 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 120.994 -1.067 . . . . 0.0 110.446 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.97 137.26 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.5 mt -106.28 149.39 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -80.63 113.61 18.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.965 -1.084 . . . . 0.0 108.469 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -81.7 119.87 24.39 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.212 -0.93 . . . . 0.0 108.853 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -100.7 179.46 4.41 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.297 -0.877 . . . . 0.0 109.218 -179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.7 p-10 -78.46 -163.19 0.42 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.424 -0.797 . . . . 0.0 109.59 -179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -149.21 126.15 11.24 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -93.48 125.43 38.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.025 -1.047 . . . . 0.0 109.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.4 p -145.35 155.01 42.92 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.041 -1.037 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -111.62 -1.17 15.84 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.928 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -63.22 -39.89 95.91 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.982 -1.074 . . . . 0.0 108.82 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.507 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.435 3.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.915 3.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.899 1 O4'-C1'-N19 111.164 4.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.856 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 1 O4'-C1'-N19 111.95 5.187 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.02 0 O4'-C1'-N19 110.745 3.681 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.868 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.201 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.412 1 O4'-C1'-N19 111.086 4.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.876 0 O4'-C1'-N19 110.796 3.745 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 0 O4'-C1'-N19 110.873 3.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.596 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.678 0 O4'-C1'-N19 110.809 3.761 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.165 0 O4'-C1'-N19 110.737 3.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.405 0 O4'-C1'-N19 110.883 3.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.01 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.191 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.528 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.758 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.514 1 O4'-C1'-N19 111.648 4.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.916 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.251 4.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.403 " H2'" ' H72' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.532 2.669 0 O4'-C1'-N19 110.87 3.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.403 ' H72' " H2'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.646 0 O4'-C1'-N19 110.878 3.847 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.725 0 O4'-C1'-N19 110.948 3.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.92 -40.27 94.9 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.182 -0.949 . . . . 0.0 109.816 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 37.2 p-10 -89.15 41.93 1.06 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.413 -0.804 . . . . 0.0 109.002 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -54.43 133.96 46.14 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 50.96 -161.79 0.07 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.297 -1.12 . . . . 0.0 109.848 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -61.37 145.01 53.01 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.125 -0.985 . . . . 0.0 110.173 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -60.22 -39.86 88.15 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.541 -0.724 . . . . 0.0 110.886 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 67.53 67.46 1.97 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.05 -161.11 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.934 2.423 . . . . 0.0 112.998 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 58.8 m -53.12 125.43 17.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.39 -0.819 . . . . 0.0 110.343 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.8 m -130.01 138.59 50.88 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.3 t -70.16 109.52 4.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.875 -1.141 . . . . 0.0 109.473 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.7 p -65.83 -10.04 34.3 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.53 -0.731 . . . . 0.0 110.419 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -100.95 -33.53 10.15 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.018 -1.051 . . . . 0.0 111.273 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 9.8 p -137.91 15.05 2.88 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.829 -1.169 . . . . 0.0 111.008 -178.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 56.41 1.36 0.07 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.168 -0.957 . . . . 0.0 112.461 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.543 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 21.1 m -56.61 131.31 48.5 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.119 -1.613 . . . . 0.0 110.263 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -107.27 -14.09 14.97 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.3 m -109.51 127.88 54.77 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.407 -0.808 . . . . 0.0 109.325 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.9 t -165.28 147.81 6.75 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.063 -1.023 . . . . 0.0 109.704 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.37 -21.73 40.56 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.301 2.001 . . . . 0.0 111.827 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.77 140.02 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.165 -0.959 . . . . 0.0 109.862 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -87.7 130.0 34.96 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.624 0.726 . . . . 0.0 109.443 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -97.45 162.8 13.15 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 HH11 ' HG2' ' A' ' 25' ' ' ARG . 49.7 mtt-85 -135.18 162.61 32.03 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.527 -0.733 . . . . 0.0 109.169 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.592 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.4 t30 -130.08 146.07 59.9 Favored Pre-proline 0 N--CA 1.491 1.614 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -46.39 0.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.657 0 C-N-CA 122.115 1.877 . . . . 0.0 113.307 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' ASN . 96.4 mt-10 -96.72 -17.99 19.94 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.68 7.6 66.47 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -84.47 142.71 40.53 Favored Pre-proline 0 N--CA 1.492 1.662 0 O-C-N 120.965 -1.314 . . . . 0.0 108.647 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -80.04 141.32 14.75 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 121.789 1.659 . . . . 0.0 112.347 179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.0 mt -137.04 148.02 46.55 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.2 p -74.3 -173.65 1.76 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.947 -1.096 . . . . 0.0 108.605 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 35.1 p-10 -72.42 -46.75 53.71 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.701 -1.25 . . . . 0.0 111.305 -178.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.98 -51.61 68.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.979 -1.075 . . . . 0.0 111.895 -178.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.0 m -57.66 -41.27 81.17 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.463 -1.398 . . . . 0.0 110.119 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.0 -48.08 87.84 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 67.9 mt -69.69 -53.75 17.08 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.415 -1.05 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.617 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 51.1 t80 -66.15 -50.83 62.62 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.13 -0.981 . . . . 0.0 111.785 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -60.02 -49.37 77.93 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.956 -1.09 . . . . 0.0 110.461 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -60.34 -48.56 81.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.337 -0.852 . . . . 0.0 110.129 -178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.25 -42.65 68.56 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.071 -1.018 . . . . 0.0 111.903 -178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.617 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 74.1 m80 -81.02 -45.54 16.41 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.681 -1.262 . . . . 0.0 110.691 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.56 56.86 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.413 -1.375 . . . . 0.0 110.667 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 17.0 m -138.02 139.98 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.026 -1.279 . . . . 0.0 110.277 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -60.79 144.2 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 CA-C-O 121.803 0.811 . . . . 0.0 111.006 -179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.533 HH11 ' HG2' ' A' ' 47' ' ' ARG . 3.3 ttt-85 -151.03 136.96 10.91 Favored Pre-proline 0 N--CA 1.492 1.638 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' ARG . 9.4 Cg_exo -24.14 98.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 123.147 2.565 . . . . 0.0 114.585 -178.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' LEU . 89.2 mt -59.98 -12.69 8.56 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 48' ' ' PRO . 90.7 p -57.6 -5.79 0.41 Allowed 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' LEU . 24.5 mt -73.28 -36.4 66.32 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.087 -1.449 . . . . 0.0 107.087 178.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' CG ' ' N ' ' A' ' 53' ' ' THR . 42.6 tttp -45.68 161.66 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.312 1.053 . . . . 0.0 111.128 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.507 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.5 t -149.14 168.22 23.8 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -98.13 8.21 45.13 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.088 -1.008 . . . . 0.0 108.41 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 t -121.38 138.1 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.3 mt -117.19 132.06 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.531 -0.731 . . . . 0.0 109.404 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -81.3 131.18 35.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.375 -0.828 . . . . 0.0 110.236 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -87.07 127.31 35.12 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.591 -0.693 . . . . 0.0 109.913 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.5 OUTLIER -100.44 -179.91 4.25 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.388 -0.82 . . . . 0.0 109.143 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -73.78 -173.59 1.56 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.228 -0.92 . . . . 0.0 110.974 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -148.11 163.22 37.59 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.773 -0.58 . . . . 0.0 109.451 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 63' ' ' SER . 2.0 t30 -81.71 141.73 33.32 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.897 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 24.5 t -62.29 -131.99 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.432 -0.792 . . . . 0.0 109.697 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 68.37 -59.88 0.44 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.178 -0.952 . . . . 0.0 109.168 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.57 ' ND2' ' N ' ' A' ' 66' ' ' SER . 1.5 p-10 -63.02 -40.04 96.54 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.315 -0.865 . . . . 0.0 109.465 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.57 ' N ' ' ND2' ' A' ' 65' ' ' ASN . 60.6 p . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.726 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.839 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.686 0 C3'-C2'-C1' 107.018 3.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C1'-N19 110.963 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.437 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.662 0 O4'-C1'-N19 110.914 3.892 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.456 1 O4'-C1'-N19 112.097 5.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.436 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.088 1 O4'-C1'-N19 111.363 4.454 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.166 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.097 1 O4'-C1'-N19 111.376 4.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.973 0 O4'-C1'-N19 110.777 3.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.618 3.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.306 1 O4'-C1'-N19 111.366 4.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.322 1 O4'-C1'-N19 111.088 4.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.095 4.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.123 0 O4'-C1'-N19 110.923 3.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.175 0 C3'-C2'-C1' 107.193 3.209 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.261 0 O4'-C1'-N19 110.897 3.871 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.441 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.983 1 O4'-C1'-N19 111.093 4.116 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.549 0 O4'-C1'-N19 110.989 3.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 1 O4'-C1'-N19 111.172 4.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 1 O4'-C1'-N19 111.74 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.447 3.308 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.96 1 O4'-C1'-N19 111.091 4.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 1 O4'-C1'-N19 111.103 4.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.533 3.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.577 0 O4'-C1'-N19 110.999 3.998 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.9 mmt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm 52.18 45.35 28.54 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.201 -0.937 . . . . 0.0 108.608 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.615 HD22 ' N ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -66.72 -173.21 0.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.614 -0.679 . . . . 0.0 109.851 -179.245 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.12 107.18 0.07 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.019 -1.633 . . . . 0.0 109.019 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -88.23 19.17 3.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.365 -1.08 . . . . 0.0 109.443 -179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 53.36 56.96 6.68 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.304 -0.872 . . . . 0.0 110.773 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -61.62 -40.06 93.5 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.887 -1.133 . . . . 0.0 108.753 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.28 137.93 5.05 Favored Glycine 0 N--CA 1.491 2.317 0 N-CA-C 108.997 -1.641 . . . . 0.0 108.997 179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -80.49 129.9 7.67 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.1 1.867 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.4 m -83.26 148.43 27.4 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.996 -1.065 . . . . 0.0 108.604 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.0 m -138.5 120.01 14.98 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.803 -1.185 . . . . 0.0 109.782 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 16' ' ' PHE . 14.3 t -62.98 115.12 4.12 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.496 -0.753 . . . . 0.0 109.808 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -65.85 -14.26 61.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.369 -0.832 . . . . 0.0 111.004 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.602 ' ND2' HD22 ' A' ' 32' ' ' LEU . 85.2 m-20 -97.89 -31.58 12.12 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.842 -1.161 . . . . 0.0 109.968 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.561 ' O ' ' CD1' ' A' ' 16' ' ' PHE . 8.0 p -143.08 18.19 1.93 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.904 -1.123 . . . . 0.0 111.142 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 15' ' ' CYS . 41.5 p90 45.3 7.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.217 -0.927 . . . . 0.0 113.193 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.535 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 5.8 m -53.29 131.14 36.96 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.307 -1.496 . . . . 0.0 109.808 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' NE2' ' OG1' ' A' ' 19' ' ' THR . 1.7 pp0? -102.48 -7.18 22.13 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.271 -0.893 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 18' ' ' GLN . 93.9 m -120.0 126.74 51.58 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.339 -0.851 . . . . 0.0 109.619 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.4 t -162.64 143.04 7.46 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 120.892 -1.13 . . . . 0.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -43.08 -45.25 9.49 Favored 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.211 1.94 . . . . 0.0 111.722 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 34' ' ' ASN . 11.7 p -164.62 150.13 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -82.18 134.1 35.29 Favored 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.243 1.021 . . . . 0.0 111.736 -177.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -101.71 167.03 10.36 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -135.41 161.52 35.21 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.583 ' O ' ' N ' ' A' ' 28' ' ' GLU . 1.8 t-20 -127.84 148.02 65.35 Favored Pre-proline 0 N--CA 1.495 1.819 0 O-C-N 121.406 -0.809 . . . . 0.0 109.074 -178.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -43.91 -4.26 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.476 2.117 . . . . 0.0 113.698 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.583 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.0 mt-10 -99.29 -17.35 18.11 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.967 -1.083 . . . . 0.0 108.99 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.34 7.03 64.01 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -83.39 141.55 42.56 Favored Pre-proline 0 N--CA 1.492 1.674 0 O-C-N 120.79 -1.418 . . . . 0.0 108.942 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -78.33 134.28 12.58 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 121.827 1.684 . . . . 0.0 111.555 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD22 ' ND2' ' A' ' 14' ' ' ASN . 80.0 mt -138.56 147.76 43.42 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.562 -0.711 . . . . 0.0 109.376 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.6 p -76.08 -174.54 2.76 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.252 -0.905 . . . . 0.0 109.725 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.611 HD21 HG13 ' A' ' 22' ' ' VAL . 13.0 m120 -70.28 -48.0 58.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.216 -0.928 . . . . 0.0 111.736 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.03 -50.11 75.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.742 -1.223 . . . . 0.0 111.039 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.424 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 94.4 m -59.68 -48.34 82.07 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.902 -1.124 . . . . 0.0 110.23 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.99 -49.86 73.97 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 74.9 mt -68.56 -54.64 15.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.218 -1.166 . . . . 0.0 110.341 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.634 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 59.7 t80 -64.12 -49.53 71.81 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.068 -1.02 . . . . 0.0 111.636 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 19.4 tp -60.13 -49.61 76.94 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.037 -1.039 . . . . 0.0 110.56 -177.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.33 -43.78 96.8 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.047 -1.033 . . . . 0.0 110.477 -179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.5 mt -70.74 -42.87 69.92 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.177 -0.952 . . . . 0.0 111.18 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.0 m80 -83.34 -42.28 17.26 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.71 -1.244 . . . . 0.0 110.848 -178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.63 9.56 74.46 Favored Glycine 0 N--CA 1.492 2.43 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.46 179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.98 140.18 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.706 -1.467 . . . . 0.0 110.777 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.1 m -58.0 144.1 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 CA-C-O 121.457 0.646 . . . . 0.0 110.213 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 59.6 ttt180 -151.9 135.93 9.87 Favored Pre-proline 0 N--CA 1.493 1.717 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' ARG . 26.0 Cg_exo -30.41 110.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.47 2.113 . . . . 0.0 114.013 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.9 -9.3 9.25 Favored 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.1 t -56.29 -9.03 0.58 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.512 -0.743 . . . . 0.0 109.476 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 27.8 mt -73.28 -41.16 63.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.115 -0.991 . . . . 0.0 108.989 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.9 tptt -54.11 164.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.523 -0.735 . . . . 0.0 109.869 -179.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.407 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -150.05 169.82 20.33 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.174 -0.954 . . . . 0.0 108.959 178.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -92.93 0.09 57.33 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.016 -1.052 . . . . 0.0 108.547 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 42.0 t -119.57 138.32 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -124.06 136.19 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.056 0 O-C-N 121.341 -0.849 . . . . 0.0 109.269 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -84.91 136.5 33.61 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.216 -0.927 . . . . 0.0 109.524 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -89.89 132.03 35.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.524 -0.735 . . . . 0.0 109.241 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -96.04 -179.57 4.73 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.017 -1.052 . . . . 0.0 109.195 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.6 p-10 -76.23 -170.43 1.44 Allowed 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.246 -0.909 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' A' ' 61' ' ' ARG . 11.1 mtt-85 -142.84 -179.93 6.63 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -80.09 165.46 22.47 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.772 -1.205 . . . . 0.0 110.472 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.4 p -126.44 160.15 31.33 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.648 -0.658 . . . . 0.0 109.961 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.98 148.96 50.65 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.257 -0.902 . . . . 0.0 110.106 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 46.54 -115.15 0.56 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.435 -0.79 . . . . 0.0 110.713 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 117.994 -1.003 . . . . 0.0 109.469 -179.048 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.468 3.334 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.92 0 O4'-C1'-N19 110.486 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.531 1 O4'-C1'-N19 111.298 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.594 0 O4'-C1'-N19 110.352 3.19 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.93 1 O4'-C1'-N19 111.756 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.86 0 O4'-C1'-N19 110.986 3.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.94 1 O4'-C1'-N19 111.505 4.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.614 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.468 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.481 0 O4'-C1'-N19 110.674 3.593 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.301 4.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.394 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.615 3.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.206 0 O4'-C1'-N19 110.356 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 0 O4'-C1'-N19 110.966 3.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 0 O4'-C1'-N19 110.886 3.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.434 ' OP1' ' NH2' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.037 4.046 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.509 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.216 4.27 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.227 1 O4'-C1'-N19 111.557 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.439 H5'' ' H ' ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.534 2.891 0 O4'-C1'-N19 110.32 3.15 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.829 1 O4'-C1'-N19 111.798 4.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.977 3.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.152 0 O4'-C1'-N19 110.394 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.957 0 O4'-C1'-N19 110.895 3.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -94.87 -113.91 0.11 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.088 -1.007 . . . . 0.0 109.68 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -81.4 -66.43 0.89 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.062 -1.024 . . . . 0.0 109.19 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.87 -108.3 3.15 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -150.97 -92.92 0.06 Allowed 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.428 ' O ' ' CG ' ' A' ' 7' ' ' ASN . 74.2 mt-30 -71.85 -44.24 64.17 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.169 -0.957 . . . . 0.0 109.388 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 6' ' ' GLN . 5.3 m120 -173.35 -73.83 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.55 -0.719 . . . . 0.0 109.255 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.93 174.94 16.27 Favored Glycine 0 N--CA 1.495 2.582 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -70.83 47.81 0.76 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.837 2.358 . . . . 0.0 111.728 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 92.9 m -57.99 119.82 7.44 Favored 'General case' 0 C--N 1.297 -1.715 0 O-C-N 121.581 -0.699 . . . . 0.0 109.346 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.537 HG23 ' NE2' ' A' ' 18' ' ' GLN . 84.8 m -138.94 132.31 30.12 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.478 -0.764 . . . . 0.0 109.948 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 10.4 t -61.07 110.79 1.46 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.172 -0.955 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 60.3 p -64.69 -10.04 24.24 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.55 -0.719 . . . . 0.0 110.508 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -102.41 -33.79 9.41 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.969 -1.082 . . . . 0.0 110.972 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' CD2' ' A' ' 16' ' ' PHE . 6.6 p -141.83 17.64 2.14 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.776 -1.203 . . . . 0.0 109.997 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CD2' ' O ' ' A' ' 15' ' ' CYS . 44.6 p90 44.93 9.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.471 -0.768 . . . . 0.0 112.896 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 2.2 m -52.01 130.39 29.63 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.257 -1.527 . . . . 0.0 109.957 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.537 ' NE2' HG23 ' A' ' 11' ' ' THR . 84.7 mm-40 -103.21 -17.89 15.14 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.6 m -107.74 120.84 43.36 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.6 -0.687 . . . . 0.0 109.636 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 t -162.38 146.96 9.56 Favored Pre-proline 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 109.356 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -72.88 -18.04 24.92 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.133 1.889 . . . . 0.0 111.16 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -165.79 145.1 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 110.171 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -94.29 132.7 38.61 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.499 0.666 . . . . 0.0 110.814 -179.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.0 mmt180 -107.88 172.5 6.79 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 109.358 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.4 ptt180 -146.41 170.73 16.24 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.429 -0.795 . . . . 0.0 109.774 179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.886 HD22 ' H ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -128.58 146.21 59.16 Favored Pre-proline 0 N--CA 1.495 1.8 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 179.778 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -48.6 3.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.272 1.981 . . . . 0.0 113.803 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.886 ' H ' HD22 ' A' ' 26' ' ' ASN . 8.7 pt-20 -95.01 -15.18 23.7 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.635 -1.29 . . . . 0.0 107.709 178.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.76 61.19 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -84.26 142.96 41.38 Favored Pre-proline 0 N--CA 1.497 1.88 0 O-C-N 120.528 -1.572 . . . . 0.0 108.957 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.25 145.4 30.57 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 C-N-CA 121.939 1.76 . . . . 0.0 111.89 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' ARG . 84.1 mt -140.03 149.98 43.85 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.521 -0.737 . . . . 0.0 109.254 179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.9 p -75.88 -161.54 0.17 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.105 -0.997 . . . . 0.0 109.476 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 34.4 p-10 -77.89 -55.02 5.66 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.007 -1.058 . . . . 0.0 112.78 -177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.39 -41.41 96.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.027 -1.046 . . . . 0.0 112.575 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 m -56.63 -44.94 81.72 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.631 -1.293 . . . . 0.0 110.844 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.44 -43.93 85.6 Favored Glycine 0 N--CA 1.491 2.363 0 C-N-CA 120.249 -0.977 . . . . 0.0 111.883 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -66.78 -52.08 48.28 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.871 -1.37 . . . . 0.0 111.845 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.637 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 26.0 t80 -71.39 -46.49 60.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.723 -1.236 . . . . 0.0 111.124 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.04 -50.76 72.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.212 -0.93 . . . . 0.0 110.348 -178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -61.84 -40.91 96.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.01 -1.056 . . . . 0.0 110.185 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.02 -38.24 75.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.274 -0.891 . . . . 0.0 111.325 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.7 m80 -92.29 -27.89 17.32 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.686 -1.259 . . . . 0.0 111.901 -177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.85 8.55 64.22 Favored Glycine 0 N--CA 1.49 2.297 0 O-C-N 120.39 -1.444 . . . . 0.0 110.63 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 m -141.77 149.92 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.049 -1.265 . . . . 0.0 110.238 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -48.74 150.15 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 109.621 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -122.36 129.76 24.95 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -40.42 93.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.314 1.343 . . . . 0.0 110.735 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' ARG . 85.9 mt -57.13 -14.9 4.46 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.572 -0.705 . . . . 0.0 109.263 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 66.0 m -65.03 -13.2 57.3 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.389 -0.819 . . . . 0.0 110.119 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -74.57 -39.97 61.93 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.019 -1.051 . . . . 0.0 109.558 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 53' ' ' THR . 24.8 ttpp -45.0 163.1 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.02 0.914 . . . . 0.0 110.842 -178.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -147.36 170.15 17.95 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 178.174 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -92.77 5.2 52.01 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.88 -1.138 . . . . 0.0 109.147 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 99.6 t -115.92 133.71 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.0 mt -109.95 130.03 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -79.82 127.11 31.83 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.886 -1.134 . . . . 0.0 109.777 -179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -85.88 124.52 32.45 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.676 -0.64 . . . . 0.0 109.537 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.441 HH11 ' HG2' ' A' ' 59' ' ' ARG . 13.2 mmt-85 -98.34 -179.99 4.54 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.33 -0.856 . . . . 0.0 108.913 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -75.34 -166.69 0.54 Allowed 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.815 0.817 . . . . 0.0 109.955 -178.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -144.34 154.45 43.03 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' H ' H5'' ' C' ' 122' ' ' ' DC' . 48.3 t30 -150.42 115.63 5.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.914 -1.116 . . . . 0.0 109.645 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.4 t -148.87 140.31 23.36 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.45 160.04 27.94 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.089 -1.007 . . . . 0.0 110.021 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -71.44 131.52 43.46 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.653 -0.654 . . . . 0.0 109.867 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.492 1.653 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.432 179.691 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.787 0 O4'-C1'-N19 110.707 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 111.024 4.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 2.035 1 O4'-C1'-N19 111.736 4.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.161 0 O4'-C1'-N19 110.714 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.803 5.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.422 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.938 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.015 1 O4'-C1'-N19 111.706 4.883 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.024 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 0 O4'-C1'-N19 110.863 3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.212 0 O4'-C1'-N19 110.91 3.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.004 4.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.102 1 O4'-C1'-N19 111.55 4.688 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.602 1 O4'-C1'-N19 111.283 4.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 1 O4'-C1'-N19 111.109 4.137 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.898 1 O4'-C1'-N19 111.287 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.227 0 O4'-C1'-N19 110.622 3.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 0 O4'-C1'-N19 110.619 3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.641 0 O4'-C1'-N19 110.558 3.447 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.141 2.927 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.454 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.05 0 O4'-C1'-N19 110.573 3.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.49 1 O4'-C1'-N19 111.46 4.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.221 0 O4'-C1'-N19 110.646 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.416 4.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.043 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 1 O4'-C1'-N19 111.153 4.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.835 0 O4'-C1'-N19 110.861 3.826 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mtm . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -63.05 -40.63 98.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.459 -0.776 . . . . 0.0 109.311 -179.485 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -164.42 101.03 0.83 Allowed 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.55 -0.719 . . . . 0.0 109.271 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.78 113.61 1.53 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.229 -1.548 . . . . 0.0 109.229 179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -61.64 -49.99 74.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 179.086 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.594 ' H ' ' CD ' ' A' ' 6' ' ' GLN . 0.1 OUTLIER -68.58 155.9 39.1 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.507 0.67 . . . . 0.0 109.929 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -72.65 148.36 44.86 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.291 -0.88 . . . . 0.0 110.068 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.26 97.63 0.48 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.128 -1.189 . . . . 0.0 110.128 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -46.33 148.76 3.02 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.884 1.723 . . . . 0.0 112.195 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 32.6 m -56.64 116.02 2.88 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.189 -0.944 . . . . 0.0 110.003 -178.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 86.3 m -132.05 140.6 48.94 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.627 -0.671 . . . . 0.0 109.195 179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.18 109.78 6.97 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.851 -1.155 . . . . 0.0 109.773 -179.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -62.04 -10.99 11.48 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.264 -0.898 . . . . 0.0 110.385 -179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.431 ' OD1' HD22 ' A' ' 32' ' ' LEU . 4.0 m120 -102.11 -32.96 9.87 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.937 -1.102 . . . . 0.0 111.816 -178.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 11.4 p -139.51 10.88 2.51 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.612 -1.305 . . . . 0.0 111.63 -178.009 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 59.96 5.86 0.83 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.029 -1.045 . . . . 0.0 112.439 178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 17.3 m -59.05 129.71 43.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.428 -1.42 . . . . 0.0 109.907 -179.13 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -107.02 -5.88 17.82 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.672 -0.643 . . . . 0.0 109.446 179.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 83.8 m -120.69 128.86 53.35 Favored 'General case' 0 N--CA 1.498 1.954 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -166.66 147.48 5.28 Favored Pre-proline 0 N--CA 1.495 1.818 0 O-C-N 120.831 -1.168 . . . . 0.0 109.743 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -63.23 -24.01 72.45 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 121.775 1.65 . . . . 0.0 111.66 179.135 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -164.48 143.26 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.255 -0.903 . . . . 0.0 109.999 -179.265 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -90.02 129.85 36.29 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.334 -0.854 . . . . 0.0 110.189 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -104.53 169.35 8.52 Favored 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -146.04 173.05 12.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.079 -1.013 . . . . 0.0 109.616 179.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.59 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.1 t-20 -128.55 147.81 65.62 Favored Pre-proline 0 N--CA 1.495 1.801 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -178.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -46.99 1.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.773 0 C-N-CA 122.012 1.808 . . . . 0.0 113.27 178.377 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.59 ' N ' ' O ' ' A' ' 26' ' ' ASN . 74.4 mm-40 -94.5 -14.98 24.59 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 178.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.66 2.21 72.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -82.98 146.58 52.25 Favored Pre-proline 0 N--CA 1.493 1.708 0 O-C-N 120.805 -1.409 . . . . 0.0 109.095 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.02 144.59 18.89 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.105 1.87 . . . . 0.0 113.198 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 ' OD1' ' A' ' 14' ' ' ASN . 81.7 mt -140.03 147.19 40.01 Favored 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.5 p -75.74 -166.0 0.51 Allowed 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.016 -1.053 . . . . 0.0 108.777 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 33.5 p-10 -78.07 -50.08 12.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.088 -1.007 . . . . 0.0 112.441 -178.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.549 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -62.46 -49.46 75.32 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.758 -1.214 . . . . 0.0 111.691 -178.18 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 67.0 m -53.48 -42.42 67.23 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.839 -1.163 . . . . 0.0 110.059 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.18 98.14 Favored Glycine 0 N--CA 1.486 1.976 0 C-N-CA 119.586 -1.292 . . . . 0.0 109.987 -179.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD13 ' H62' ' C' ' 120' ' ' ' DA' . 53.5 mt -69.71 -56.26 7.7 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.004 -1.292 . . . . 0.0 111.23 -179.218 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.606 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.7 t80 -65.68 -49.57 68.06 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.307 -0.871 . . . . 0.0 112.017 -178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.03 -49.35 78.03 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.196 -0.94 . . . . 0.0 110.281 -177.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -62.73 -44.91 94.99 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.905 -1.122 . . . . 0.0 110.291 -179.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.05 -40.14 78.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.256 -0.903 . . . . 0.0 111.04 -178.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.606 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 58.4 m80 -84.72 -40.02 17.82 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.749 -1.22 . . . . 0.0 111.074 -178.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.38 15.14 79.03 Favored Glycine 0 N--CA 1.491 2.324 0 O-C-N 120.3 -1.5 . . . . 0.0 111.011 179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.98 176.43 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.051 -1.264 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.4 m -54.22 148.78 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.403 -0.811 . . . . 0.0 109.314 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.548 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 36.4 ttp180 -121.68 118.51 29.55 Favored Pre-proline 0 N--CA 1.496 1.84 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 178.559 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.88 92.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.448 0 C-N-CA 120.844 1.029 . . . . 0.0 110.681 178.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ARG . 87.0 mt -58.59 -12.71 4.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.239 -0.913 . . . . 0.0 108.967 -179.165 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.8 p -60.49 -9.67 3.99 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.431 -0.793 . . . . 0.0 109.53 179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 52' ' ' LYS . 21.2 mt -77.14 -31.44 55.68 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.394 -0.816 . . . . 0.0 109.218 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 51' ' ' LEU . 21.7 tptp -35.62 144.12 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 122.156 0.979 . . . . 0.0 111.635 -179.247 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.85 161.6 40.95 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 178.712 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -94.73 0.73 55.23 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.923 -1.111 . . . . 0.0 110.097 -179.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.0 141.92 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 80.7 mt -115.62 132.33 65.34 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -79.09 130.72 35.8 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.861 -1.15 . . . . 0.0 109.252 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -87.68 127.88 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.412 -0.805 . . . . 0.0 109.764 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 59' ' ' ARG . 54.4 mtt-85 -97.78 -178.78 4.21 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.173 -0.955 . . . . 0.0 109.149 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.0 p-10 -74.25 179.92 4.25 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.204 -0.935 . . . . 0.0 110.887 -177.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -148.4 162.02 40.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.651 -0.656 . . . . 0.0 109.465 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -82.13 146.05 29.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.227 -0.921 . . . . 0.0 109.819 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.2 p -70.23 -20.4 63.08 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.19 -0.944 . . . . 0.0 110.114 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.1 140.01 53.56 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.21 -0.931 . . . . 0.0 109.941 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -73.13 147.69 44.62 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.202 -0.936 . . . . 0.0 109.308 179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.432 179.369 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.891 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.651 0 C3'-C2'-C1' 107.013 3.08 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.369 4.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.449 " H2'" ' H71' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.714 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.449 ' H71' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.662 0 C3'-C2'-C1' 106.587 2.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.661 1 O4'-C1'-N19 111.689 4.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.445 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.566 0 O4'-C1'-N19 110.893 3.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.324 1 O4'-C1'-N19 111.189 4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.725 3.656 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.439 1 O4'-C1'-N19 111.501 4.626 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.4 ' N1 ' ' N3 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.373 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.581 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C1'-N19 110.811 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.617 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 1 O4'-C1'-N19 111.034 4.042 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . 0.544 H2'' " O5'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.115 1 O4'-C1'-N19 111.038 4.047 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.544 " O5'" H2'' ' C' ' 116' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.793 1 O4'-C1'-N19 111.868 5.085 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.36 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.182 4.227 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.574 ' P ' HD21 ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.535 3.029 1 O4'-C1'-N19 111.008 4.01 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.386 1 O4'-C1'-N19 111.618 4.773 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.905 0 O4'-C1'-N19 110.688 3.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.984 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.585 1 O4'-C1'-N19 111.223 4.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 0 O4'-C1'-N19 110.704 3.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.735 3.669 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.282 0.563 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -63.4 -40.04 96.15 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.358 -0.839 . . . . 0.0 110.166 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -122.52 137.31 54.92 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -87.6 9.62 72.96 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.765 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . 43.3 mt-10 55.96 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.363 -1.081 . . . . 0.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -58.12 -31.44 67.17 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.41 -178.659 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.504 ' O ' ' C ' ' A' ' 8' ' ' GLY . 56.1 t-20 -69.96 -54.43 13.32 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.979 -1.076 . . . . 0.0 109.552 -179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.504 ' C ' ' O ' ' A' ' 7' ' ' ASN . . . -21.09 -65.51 0.01 OUTLIER Glycine 0 N--CA 1.506 3.326 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 -178.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' O ' ' O ' ' A' ' 8' ' ' GLY . 53.7 Cg_exo -52.59 -136.99 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.542 2.161 . . . . 0.0 113.094 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.471 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 86.2 m -54.64 120.49 6.8 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.297 -0.877 . . . . 0.0 108.843 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ASN . 99.1 m -134.94 137.43 43.11 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.417 -0.802 . . . . 0.0 110.235 -179.096 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 14.3 t -65.1 110.62 2.58 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.161 -0.962 . . . . 0.0 108.752 179.213 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -63.78 -11.01 23.03 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.566 -0.709 . . . . 0.0 109.84 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.509 ' ND2' HD22 ' A' ' 32' ' ' LEU . 71.1 m-20 -100.43 -36.49 9.2 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.137 -0.977 . . . . 0.0 111.595 -179.288 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.5 p -137.2 10.91 3.03 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.482 -1.386 . . . . 0.0 111.123 -178.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 58.93 3.22 0.3 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.302 -0.874 . . . . 0.0 112.22 178.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.505 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 20.4 m -59.07 129.32 41.56 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.206 -1.559 . . . . 0.0 109.566 -178.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' OE1' ' O ' ' A' ' 10' ' ' THR . 67.1 tp60 -101.98 -22.58 14.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.611 -0.681 . . . . 0.0 109.293 179.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.7 m -101.28 126.87 48.07 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.289 -0.882 . . . . 0.0 109.547 -179.336 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.5 t -166.22 148.16 5.99 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.091 -1.006 . . . . 0.0 109.249 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -68.29 -18.41 44.57 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.683 1.589 . . . . 0.0 111.796 179.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -166.91 146.71 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.052 -1.03 . . . . 0.0 110.717 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -95.41 133.76 38.99 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.473 -0.767 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -107.77 172.97 6.53 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -144.92 170.99 15.07 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.101 -0.999 . . . . 0.0 109.741 179.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.622 ' O ' ' N ' ' A' ' 28' ' ' GLU . 6.9 t30 -129.09 148.02 67.31 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -178.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -45.92 3.25 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 122.181 1.92 . . . . 0.0 113.948 179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.622 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.6 mt-10 -97.72 -15.32 20.41 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.829 -1.169 . . . . 0.0 107.863 178.068 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.17 10.13 66.53 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 -179.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' H ' ' HG2' ' A' ' 30' ' ' GLN . 23.6 pt20 -85.08 141.63 37.74 Favored Pre-proline 0 N--CA 1.493 1.697 0 O-C-N 120.877 -1.367 . . . . 0.0 108.753 178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -77.1 140.77 20.25 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 121.951 1.768 . . . . 0.0 111.881 179.636 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.8 mt -139.07 147.59 42.22 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.546 -0.721 . . . . 0.0 109.545 -179.705 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -72.06 -178.47 2.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.044 -1.035 . . . . 0.0 108.658 178.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.574 HD21 ' P ' ' C' ' 120' ' ' ' DA' . 35.4 p-10 -69.31 -43.06 74.51 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.049 -1.032 . . . . 0.0 111.841 -178.33 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.556 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.09 -51.8 65.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.805 -1.184 . . . . 0.0 112.091 -178.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 85.9 m -60.53 -46.14 91.25 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.838 -1.164 . . . . 0.0 110.098 -178.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.53 -53.04 49.29 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.376 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.443 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 59.6 mt -64.96 -49.98 68.16 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.335 -1.097 . . . . 0.0 110.696 179.889 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -67.61 -47.29 70.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.241 -0.912 . . . . 0.0 111.554 -178.743 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.03 -47.48 85.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.045 -1.035 . . . . 0.0 109.803 -178.002 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -63.87 -45.26 90.24 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.03 -1.044 . . . . 0.0 110.193 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.65 -41.38 79.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.15 -0.969 . . . . 0.0 110.703 -178.304 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 59.6 m80 -84.53 -41.74 16.21 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.791 -1.193 . . . . 0.0 111.266 -178.045 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.73 8.51 68.01 Favored Glycine 0 N--CA 1.492 2.376 0 O-C-N 120.653 -1.279 . . . . 0.0 111.566 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.3 m -142.81 144.75 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.002 0 O-C-N 120.655 -1.497 . . . . 0.0 110.328 -179.705 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 32.1 m -54.34 143.14 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-O 121.749 0.785 . . . . 0.0 110.667 -179.088 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' CG ' HH11 ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.86 132.67 12.05 Favored Pre-proline 0 N--CA 1.49 1.558 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 179.854 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 20.5 Cg_exo -30.38 102.05 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.254 0 C-N-CA 122.211 1.941 . . . . 0.0 113.421 -179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 14' ' ' ASN . 68.3 mt -59.92 -14.85 17.52 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.007 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -56.7 -6.35 0.31 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -179.688 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.1 mt -74.17 -39.18 63.4 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -45.68 155.06 0.18 Allowed 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.466 0.651 . . . . 0.0 109.994 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.05 169.98 19.96 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -93.71 -2.09 54.31 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.86 -1.15 . . . . 0.0 109.801 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.52 134.05 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 179.253 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.1 mt -111.78 130.66 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.497 -0.752 . . . . 0.0 109.507 -179.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -80.01 124.43 28.7 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -93.76 136.61 33.87 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.027 -1.045 . . . . 0.0 110.539 -179.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -101.36 -177.45 3.44 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.465 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -77.76 -168.71 1.28 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.249 -0.907 . . . . 0.0 110.654 -178.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -149.92 167.52 26.41 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.14 131.17 35.24 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.04 -1.038 . . . . 0.0 109.235 179.725 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 t -64.11 135.04 56.01 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.391 -0.818 . . . . 0.0 110.153 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.58 39.86 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.287 -0.883 . . . . 0.0 109.295 179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' CG ' ' H ' ' A' ' 66' ' ' SER . 66.9 t30 56.34 -130.16 1.81 Allowed 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.471 -0.768 . . . . 0.0 109.156 -179.512 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 65' ' ' ASN . 2.2 m . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.643 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.457 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.506 0 C3'-C2'-C1' 107.007 3.077 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 0 O4'-C1'-N19 110.709 3.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.615 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.699 0 O4'-C1'-N19 110.695 3.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.998 1 O4'-C1'-N19 111.267 4.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.573 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.86 1 O4'-C1'-N19 111.289 4.361 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.182 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.058 0 O4'-C1'-N19 110.664 3.58 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.427 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 1 O4'-C1'-N19 111.063 4.079 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.039 1 O4'-C1'-N19 111.611 4.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.966 0 O4'-C1'-N19 110.629 3.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.597 0 O4'-C1'-N19 110.867 3.833 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.708 1 O4'-C1'-N19 111.001 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.643 3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.334 0 O4'-C1'-N19 110.777 3.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.416 1 O4'-C1'-N19 111.561 4.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.514 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.55 1 O4'-C1'-N19 111.377 4.471 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 111.639 4.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.574 0 O4'-C1'-N19 110.62 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.191 4.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 1 O4'-C1'-N19 111.085 4.106 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.234 0 O4'-C1'-N19 110.849 3.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 0 O4'-C1'-N19 110.936 3.92 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 ptm . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -88.67 135.48 33.48 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.118 -0.989 . . . . 0.0 109.221 -179.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -126.61 107.78 10.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.571 -0.705 . . . . 0.0 109.725 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.27 -116.2 1.18 Allowed Glycine 0 N--CA 1.495 2.578 0 N-CA-C 108.866 -1.694 . . . . 0.0 108.866 179.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -141.33 145.85 35.95 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.302 -1.116 . . . . 0.0 109.874 179.654 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 8' ' ' GLY . 96.0 mt-30 -144.38 170.97 15.0 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -66.63 73.68 0.09 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 120.976 -1.078 . . . . 0.0 109.158 -179.701 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -136.58 67.48 0.54 Allowed Glycine 0 N--CA 1.494 2.554 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.852 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -60.59 7.38 0.1 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.007 1.804 . . . . 0.0 112.583 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' GLY . 52.3 m -65.93 104.31 1.09 Allowed 'General case' 0 C--N 1.296 -1.735 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.8 m -135.18 147.5 49.41 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.493 -0.754 . . . . 0.0 109.816 -179.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 16' ' ' PHE . 7.1 t -60.71 108.42 0.84 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.525 -0.734 . . . . 0.0 109.985 -179.644 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.3 p -66.27 -10.05 38.51 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.56 -0.712 . . . . 0.0 110.068 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -99.16 -31.86 11.53 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.109 -0.994 . . . . 0.0 111.238 -178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' O ' ' CG ' ' A' ' 16' ' ' PHE . 9.1 p -139.53 18.37 2.54 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.849 -1.157 . . . . 0.0 109.813 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 15' ' ' CYS . 34.4 p90 48.07 2.62 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 112.689 0.626 . . . . 0.0 112.689 178.608 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 15' ' ' CYS . 17.6 m -54.89 125.65 21.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.235 -1.54 . . . . 0.0 109.195 -179.65 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -99.98 -2.54 34.31 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.521 -0.737 . . . . 0.0 110.137 -179.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -120.0 128.06 53.2 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.383 -0.823 . . . . 0.0 108.868 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.9 t -162.97 139.05 5.53 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 120.946 -1.096 . . . . 0.0 110.409 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -48.17 -32.65 19.52 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 111.339 178.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.0 p -164.43 150.43 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.648 -0.657 . . . . 0.0 109.53 -179.178 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -91.46 132.61 36.13 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.532 -0.73 . . . . 0.0 110.293 -179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -101.58 169.99 8.48 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -137.25 163.39 31.04 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.337 -0.852 . . . . 0.0 109.881 179.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.631 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.6 t-20 -133.21 144.76 53.9 Favored Pre-proline 0 N--CA 1.493 1.701 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 -178.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -42.83 0.29 0.01 OUTLIER 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.838 2.359 . . . . 0.0 114.512 179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.631 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.0 mt-10 -99.91 -17.78 17.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.809 -1.182 . . . . 0.0 107.821 178.303 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.42 10.49 63.71 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.81 142.39 34.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 120.67 -1.488 . . . . 0.0 108.872 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -76.29 143.69 25.4 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.872 1.715 . . . . 0.0 112.477 179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 83.0 mt -139.45 147.91 42.02 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.577 -0.702 . . . . 0.0 109.259 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.5 p -76.11 -177.94 4.2 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.048 -1.032 . . . . 0.0 108.254 178.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 31.8 p-10 -69.94 -42.7 72.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.981 -1.075 . . . . 0.0 111.225 -178.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.21 -50.56 69.8 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.727 -1.233 . . . . 0.0 111.988 -178.417 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 89.8 m -59.68 -44.51 93.6 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.631 -1.293 . . . . 0.0 110.205 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -61.66 -52.55 50.13 Favored Glycine 0 N--CA 1.489 2.188 0 C-N-CA 119.957 -1.116 . . . . 0.0 110.451 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 61.3 mt -66.99 -50.6 61.75 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.072 -1.252 . . . . 0.0 110.615 -179.392 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.552 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.2 t80 -65.33 -49.85 67.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.097 -1.002 . . . . 0.0 111.302 -178.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.08 -47.85 84.17 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.147 -0.97 . . . . 0.0 109.51 -177.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -63.98 -45.27 89.78 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.438 -0.789 . . . . 0.0 110.576 -179.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -69.18 -40.23 78.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.1 -1.0 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.552 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 68.6 m80 -88.05 -39.61 14.49 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.81 -1.181 . . . . 0.0 111.416 -178.533 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 9.07 82.49 Favored Glycine 0 N--CA 1.491 2.335 0 O-C-N 120.473 -1.392 . . . . 0.0 111.595 178.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.9 m -143.42 146.3 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 120.721 -1.458 . . . . 0.0 109.96 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.18 144.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 O-C-N 121.481 -0.762 . . . . 0.0 109.901 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 48' ' ' PRO . 9.3 tpt180 -143.51 137.12 14.26 Favored Pre-proline 0 N--CA 1.493 1.718 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' C ' ' O ' ' A' ' 47' ' ' ARG . 8.9 Cg_exo -29.0 97.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 122.832 2.355 . . . . 0.0 113.877 -179.246 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' LEU . 82.7 mt -60.22 -22.27 62.81 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 179.221 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.6 t -56.83 -6.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.454 -0.779 . . . . 0.0 109.813 -179.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' LEU . 25.7 mt -74.95 -36.99 62.09 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.022 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 165.03 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.612 -0.68 . . . . 0.0 109.266 179.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -150.07 169.99 19.96 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.239 -0.913 . . . . 0.0 109.136 178.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -94.9 3.01 55.46 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.159 -0.963 . . . . 0.0 109.841 -179.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.4 p -126.99 146.58 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.6 mt -129.85 140.01 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.416 -0.802 . . . . 0.0 109.715 -179.093 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -81.64 133.82 35.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.442 -0.786 . . . . 0.0 109.679 -179.749 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -83.37 124.55 30.76 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.386 -0.821 . . . . 0.0 109.243 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.487 HH11 ' HG3' ' A' ' 59' ' ' ARG . 16.8 mmm-85 -98.37 -179.96 4.52 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.295 -0.878 . . . . 0.0 109.652 -178.614 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -70.14 163.09 27.05 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 122.371 1.081 . . . . 0.0 111.5 -176.642 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -150.02 160.05 43.93 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.156 179.772 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -87.56 99.98 12.45 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.374 178.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -92.86 -9.8 38.98 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.048 -1.032 . . . . 0.0 109.354 -179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 50.33 37.81 16.24 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.216 -0.927 . . . . 0.0 108.921 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.8 p-10 -89.09 152.42 21.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.252 -0.905 . . . . 0.0 110.039 -179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.068 179.342 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.79 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.529 2.31 0 C3'-C2'-C1' 106.958 3.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.207 0 O4'-C1'-N19 110.986 3.983 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.381 1 O4'-C1'-N19 111.716 4.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.094 0 C3'-C2'-C1' 106.726 2.876 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.291 1 O4'-C1'-N19 111.768 4.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.578 0 O4'-C1'-N19 110.92 3.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.025 1 O4'-C1'-N19 111.496 4.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.243 0 O4'-C1'-N19 110.651 3.563 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.402 0 O4'-C1'-N19 110.849 3.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.548 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.962 0 O4'-C1'-N19 110.537 3.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 0 O4'-C1'-N19 110.551 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.576 1 O4'-C1'-N19 111.086 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.93 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.912 0 O4'-C1'-N19 110.381 3.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 0 O4'-C1'-N19 110.794 3.743 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.686 0 O4'-C1'-N19 110.688 3.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.833 0 O4'-C1'-N19 110.941 3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.507 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.413 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.319 1 O4'-C1'-N19 111.439 4.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 0 O4'-C1'-N19 110.548 3.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.149 1 O4'-C1'-N19 111.546 4.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.935 0 O4'-C1'-N19 110.978 3.973 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.369 0 O4'-C1'-N19 110.528 3.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.831 0 O4'-C1'-N19 110.652 3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? 52.2 39.37 26.76 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.169 -0.957 . . . . 0.0 109.512 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -139.23 -53.09 0.56 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.336 -0.853 . . . . 0.0 109.193 179.686 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.93 -58.76 4.28 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -84.79 131.76 34.5 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.335 -1.097 . . . . 0.0 109.798 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -96.81 -78.38 0.47 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.218 -0.926 . . . . 0.0 109.348 179.348 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 7' ' ' ASN . 50.1 p30 -141.75 11.27 2.04 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.487 -0.758 . . . . 0.0 109.601 -179.76 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.85 155.73 7.84 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 109.06 -1.616 . . . . 0.0 109.06 -179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.35 71.4 5.85 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.383 2.055 . . . . 0.0 112.8 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.4 m -58.93 120.04 8.33 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.374 -0.829 . . . . 0.0 109.735 -179.724 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.9 m -135.47 138.52 43.23 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.443 -0.786 . . . . 0.0 109.883 -179.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.5 t -70.38 110.41 5.29 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -63.36 -11.04 19.54 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.623 -0.673 . . . . 0.0 111.422 -178.61 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.7 m120 -101.6 -30.92 11.1 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.766 -1.209 . . . . 0.0 111.344 -179.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.517 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.7 p -138.94 11.49 2.64 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 120.825 -1.172 . . . . 0.0 111.556 -178.123 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 56.95 2.76 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.129 -0.982 . . . . 0.0 111.851 178.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.2 m -56.82 124.41 18.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.34 -1.475 . . . . 0.0 108.976 -179.266 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -98.77 -8.72 25.52 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -179.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 17' ' ' THR . 89.4 m -118.3 128.47 54.69 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 -179.85 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.5 t -163.45 141.57 6.11 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 120.731 -1.231 . . . . 0.0 110.005 -179.086 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -44.34 -38.91 11.87 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 121.715 1.61 . . . . 0.0 111.559 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.644 ' CG1' HD21 ' A' ' 34' ' ' ASN . 5.0 p -164.9 154.77 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -179.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.406 ' N ' HG22 ' A' ' 22' ' ' VAL . 99.0 m95 -90.39 131.84 35.93 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.916 0.865 . . . . 0.0 110.913 -178.643 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -97.24 164.27 12.55 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 25' ' ' ARG . 39.0 mtt-85 -137.6 161.4 36.56 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 179.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.69 HD22 ' H ' ' A' ' 28' ' ' GLU . 2.1 t30 -135.56 147.52 61.99 Favored Pre-proline 0 N--CA 1.496 1.84 0 O-C-N 121.378 -0.826 . . . . 0.0 109.003 -178.502 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -42.45 -0.96 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.753 2.302 . . . . 0.0 114.563 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.69 ' H ' HD22 ' A' ' 26' ' ' ASN . 65.9 mm-40 -101.41 -19.89 15.38 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.846 -1.158 . . . . 0.0 108.015 177.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.85 17.77 59.18 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -90.08 118.92 69.26 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 120.895 -1.356 . . . . 0.0 109.133 179.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.92 137.56 79.3 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 121.535 1.49 . . . . 0.0 113.074 179.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD22 ' OD1' ' A' ' 14' ' ' ASN . 84.5 mt -141.34 147.89 38.83 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 179.328 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.6 p -79.37 -173.21 3.58 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.877 -1.139 . . . . 0.0 109.579 179.123 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.644 HD21 ' CG1' ' A' ' 22' ' ' VAL . 5.2 m120 -68.66 -50.05 54.24 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.229 -0.919 . . . . 0.0 111.196 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.96 -55.74 30.3 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.966 -1.084 . . . . 0.0 111.785 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' SG ' ' NH2' ' A' ' 47' ' ' ARG . 77.1 m -55.68 -43.66 76.57 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.669 -1.269 . . . . 0.0 110.355 -178.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.7 -45.3 96.07 Favored Glycine 0 N--CA 1.487 2.09 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 -179.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 65.1 mt -68.62 -50.47 51.18 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.555 -0.968 . . . . 0.0 110.765 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 22.9 t80 -73.45 -49.75 25.25 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.899 -1.125 . . . . 0.0 112.161 -178.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.78 -50.24 74.59 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.907 -1.121 . . . . 0.0 109.992 -177.358 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.02 -45.98 91.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.221 -0.924 . . . . 0.0 110.618 -179.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.79 -40.37 83.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.091 -1.005 . . . . 0.0 110.913 -178.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.651 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.2 m80 -82.85 -43.06 17.06 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.105 -0.997 . . . . 0.0 111.111 -177.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 12.34 80.24 Favored Glycine 0 N--CA 1.49 2.241 0 C-N-CA 119.522 -1.323 . . . . 0.0 111.039 179.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 m -135.75 173.86 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 120.957 -1.32 . . . . 0.0 109.762 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 6.1 m -54.23 148.59 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.389 -0.82 . . . . 0.0 109.476 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' NH2' ' SG ' ' A' ' 36' ' ' CYS . 31.5 ttp180 -129.75 137.45 30.94 Favored Pre-proline 0 N--CA 1.495 1.799 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -71.45 103.5 1.43 Allowed 'Trans proline' 0 C--N 1.313 -1.307 0 C-N-CA 121.066 1.178 . . . . 0.0 110.198 178.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 14' ' ' ASN . 47.3 mt -59.97 -12.79 8.71 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.38 -0.825 . . . . 0.0 109.172 -179.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -60.05 -12.23 7.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.291 -0.88 . . . . 0.0 109.741 -179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.8 mt -76.12 -38.39 56.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.191 -0.943 . . . . 0.0 108.524 179.305 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.26 155.15 0.09 Allowed 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.689 0.757 . . . . 0.0 110.355 -178.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 t -151.2 170.05 20.42 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.438 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -96.65 -3.17 43.23 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.041 -1.037 . . . . 0.0 109.613 -179.435 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.8 p -117.76 139.13 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.41 139.98 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.47 -0.769 . . . . 0.0 109.934 -179.122 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 46.3 tptt -78.69 121.01 24.17 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -85.97 121.41 28.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.529 -0.732 . . . . 0.0 109.565 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -97.57 176.9 5.68 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.19 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -76.38 -164.26 0.38 Allowed 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.294 -0.878 . . . . 0.0 109.357 -178.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -146.41 159.97 42.69 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.23 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -147.2 51.51 1.08 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.8 -1.187 . . . . 0.0 109.324 -179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 31.4 t -152.96 156.72 39.42 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.306 -0.871 . . . . 0.0 109.26 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 64.65 102.98 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.176 -0.952 . . . . 0.0 108.908 -179.295 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.1 t30 55.81 43.02 28.38 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.331 -0.856 . . . . 0.0 109.735 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.496 1.874 0 O-C-N 121.001 -1.062 . . . . 0.0 109.687 179.626 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.721 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.562 0 C3'-C2'-C1' 107.136 3.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.857 0 O4'-C1'-N19 110.761 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 1 O4'-C1'-N19 111.741 4.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.696 0 O4'-C1'-N19 110.698 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.64 1 O4'-C1'-N19 111.708 4.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.557 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 110.696 3.62 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.924 1 O4'-C1'-N19 111.668 4.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.868 0 O4'-C1'-N19 110.919 3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 1.967 1 O4'-C1'-N19 111.393 4.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.809 0 O4'-C1'-N19 110.687 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.659 0 O4'-C1'-N19 110.723 3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.231 1 O4'-C1'-N19 111.052 4.065 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.541 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.154 0 O4'-C1'-N19 110.764 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.38 0 O4'-C1'-N19 110.568 3.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 0 O4'-C1'-N19 110.677 3.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.463 ' OP1' ' CZ ' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.864 3.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.398 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.551 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.266 0 O4'-C1'-N19 110.834 3.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.411 1 O4'-C1'-N19 111.424 4.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.223 1 O4'-C1'-N19 111.246 4.308 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.811 1 O4'-C1'-N19 111.014 4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.312 1 O4'-C1'-N19 111.049 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.571 3.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 mttp 52.34 37.71 23.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.414 -0.804 . . . . 0.0 109.695 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -148.39 82.11 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.056 -1.027 . . . . 0.0 109.597 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.506 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . 46.11 49.66 13.67 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 179.371 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' O ' ' O ' ' A' ' 4' ' ' GLY . 57.1 mp0 53.53 160.29 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.456 -1.026 . . . . 0.0 110.085 179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 65.0 tp60 -65.36 141.24 58.63 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.895 -1.128 . . . . 0.0 109.66 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 38.8 p-10 -135.3 150.85 50.09 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -155.82 80.08 0.18 Allowed Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.25 -2.84 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 122.558 2.172 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.542 ' H ' ' C ' ' A' ' 8' ' ' GLY . 95.9 m -49.97 126.36 14.12 Favored 'General case' 0 C--N 1.297 -1.675 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.4 m -127.12 132.94 50.48 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.725 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.8 t -67.38 108.6 2.84 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 120.921 -1.112 . . . . 0.0 109.522 -179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.7 p -64.83 -9.91 24.24 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.754 -0.591 . . . . 0.0 109.722 179.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -98.7 -36.62 9.79 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.146 -0.972 . . . . 0.0 110.747 -179.422 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 14.0 p -135.38 9.72 3.45 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.849 -1.157 . . . . 0.0 110.963 -178.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.506 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 96.8 m-85 57.66 3.6 0.21 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.259 -0.901 . . . . 0.0 112.05 178.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.465 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.5 m -58.08 129.4 41.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.225 -1.547 . . . . 0.0 109.405 -178.859 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 16' ' ' PHE . 25.0 mp0 -100.94 -3.46 29.53 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.552 -0.718 . . . . 0.0 110.024 179.839 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.2 m -119.92 129.73 54.48 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.157 -0.964 . . . . 0.0 109.039 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -163.91 144.92 6.95 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.166 -0.959 . . . . 0.0 109.536 -179.706 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -64.69 -22.01 64.63 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.038 1.826 . . . . 0.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 p -166.58 140.25 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.256 -0.903 . . . . 0.0 109.708 179.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -87.47 133.27 33.78 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.543 0.687 . . . . 0.0 109.877 -179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -101.5 166.98 10.43 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 109.258 -179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -133.69 159.98 38.92 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.584 ' O ' ' N ' ' A' ' 28' ' ' GLU . 5.3 t-20 -128.01 146.62 59.92 Favored Pre-proline 0 N--CA 1.497 1.896 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -178.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -46.02 -1.85 0.02 OUTLIER 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.305 2.003 . . . . 0.0 113.342 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 26' ' ' ASN . 99.3 mt-10 -99.11 -18.94 17.46 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.946 -1.096 . . . . 0.0 108.728 179.375 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.93 8.83 63.04 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 28' ' ' GLU . 63.0 mt-30 -85.62 136.49 37.03 Favored Pre-proline 0 N--CA 1.494 1.743 0 O-C-N 121.123 -1.222 . . . . 0.0 109.062 179.126 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.82 141.07 26.74 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.213 1.942 . . . . 0.0 112.774 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.7 mt -142.36 150.07 40.25 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.504 -0.747 . . . . 0.0 110.13 179.726 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.0 p -74.88 -176.07 2.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.154 -0.966 . . . . 0.0 109.296 179.11 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.54 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 39.5 p-10 -72.29 -42.64 65.28 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.934 -1.104 . . . . 0.0 111.624 -178.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -65.12 -51.05 63.56 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.776 -1.202 . . . . 0.0 112.151 -178.412 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.1 m -59.28 -45.25 91.77 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 120.522 -1.362 . . . . 0.0 110.603 -178.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.1 -44.42 97.78 Favored Glycine 0 N--CA 1.487 2.086 0 N-CA-C 109.965 -1.254 . . . . 0.0 109.965 -179.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 84.4 mt -67.09 -52.74 38.24 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.309 -1.112 . . . . 0.0 111.386 -179.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 44.8 t80 -71.54 -44.38 64.68 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.811 -1.181 . . . . 0.0 111.022 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.0 tp -60.05 -49.16 78.74 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.04 -1.037 . . . . 0.0 109.545 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -61.6 -45.21 95.08 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.897 -1.127 . . . . 0.0 110.706 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.2 mt -70.01 -40.77 75.03 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.153 -0.967 . . . . 0.0 112.061 -178.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.636 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 64.2 m80 -89.78 -35.86 15.47 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.644 -1.285 . . . . 0.0 111.528 -177.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.32 8.4 65.85 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.511 -1.368 . . . . 0.0 111.418 179.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.3 m -140.79 145.0 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.786 -1.42 . . . . 0.0 110.563 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -56.68 151.11 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.734 0.778 . . . . 0.0 110.459 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' CZ ' ' OP1' ' C' ' 118' ' ' ' DC' . 6.8 ttm-85 -147.29 136.81 11.83 Favored Pre-proline 0 N--CA 1.493 1.698 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' ARG . 40.8 Cg_exo -31.19 102.13 0.02 OUTLIER 'Trans proline' 0 N--CA 1.488 1.184 0 C-N-CA 122.316 2.01 . . . . 0.0 113.273 -179.712 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 93.1 mt -61.76 -17.37 55.67 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 -8.2 0.58 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.453 -0.779 . . . . 0.0 109.498 -179.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.65 -40.19 63.91 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 178.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -49.28 163.27 0.1 Allowed 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.564 0.697 . . . . 0.0 109.41 179.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.43 171.2 17.41 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -92.63 3.38 55.68 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.964 -1.085 . . . . 0.0 108.58 179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.3 t -119.41 139.27 47.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.216 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 71.9 mt -111.21 132.45 59.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.9 ttmm -80.19 128.78 33.93 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.947 -1.096 . . . . 0.0 108.911 -179.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -86.66 124.87 33.41 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.471 -0.768 . . . . 0.0 110.705 -179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -97.16 176.92 5.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.093 -1.004 . . . . 0.0 108.748 179.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.65 HD22 ' N ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -76.37 -171.6 1.84 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.203 -0.936 . . . . 0.0 110.517 -178.239 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -145.77 155.28 42.84 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.55 -0.719 . . . . 0.0 109.259 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -83.42 127.96 34.12 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.247 -0.908 . . . . 0.0 109.977 -179.421 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 t -100.16 120.02 39.23 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.396 -0.815 . . . . 0.0 109.324 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.03 108.83 3.31 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.134 -0.979 . . . . 0.0 109.298 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -80.96 -20.52 41.78 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.2 -0.937 . . . . 0.0 110.25 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.115 -0.991 . . . . 0.0 109.336 179.835 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.479 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.649 0 C3'-C2'-C1' 106.942 3.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.601 0 O4'-C1'-N19 110.659 3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.529 1 O4'-C1'-N19 111.476 4.595 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 0 O4'-C1'-N19 110.527 3.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 1 O4'-C1'-N19 111.349 4.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.401 ' H62' ' CD2' ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.536 3.086 0 O4'-C1'-N19 110.749 3.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.914 1 O4'-C1'-N19 111.609 4.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.218 0 O4'-C1'-N19 110.989 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.994 3.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.79 3.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 0 O4'-C1'-N19 110.848 3.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.62 0 O4'-C1'-N19 110.818 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.24 1 O4'-C1'-N19 111.329 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.81 3.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.749 0 O4'-C1'-N19 110.598 3.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 0 O4'-C1'-N19 110.904 3.88 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.485 ' OP1' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.836 0 O4'-C1'-N19 110.863 3.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.305 0 O4'-C1'-N19 110.944 3.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.462 ' OP2' ' ND2' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.165 4.207 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.382 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.595 0 O4'-C1'-N19 110.541 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.401 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.056 4.07 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.401 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.297 0 O4'-C1'-N19 110.915 3.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.367 0 O4'-C1'-N19 110.562 3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.989 0 O4'-C1'-N19 110.754 3.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -96.92 101.1 12.62 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.885 -1.134 . . . . 0.0 109.334 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -61.85 -41.7 98.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.298 -0.876 . . . . 0.0 109.107 179.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.42 -36.52 0.64 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 108.412 -1.875 . . . . 0.0 108.412 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 6' ' ' GLN . 98.9 mt-10 -141.01 -65.85 0.43 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -1.013 . . . . 0.0 108.837 179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.511 ' CB ' ' O ' ' A' ' 5' ' ' GLU . 13.0 tp60 82.85 -176.93 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.769 -0.582 . . . . 0.0 109.461 179.623 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.425 ' H ' ' HG3' ' A' ' 6' ' ' GLN . 32.7 m120 -69.96 -23.72 63.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.091 -1.006 . . . . 0.0 111.332 -178.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -129.97 74.14 0.45 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -178.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -89.52 144.42 4.68 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 123.245 2.63 . . . . 0.0 112.344 179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.6 m -52.91 132.66 37.56 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.073 -1.017 . . . . 0.0 109.342 -179.863 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -133.4 139.97 47.06 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.51 -0.744 . . . . 0.0 109.632 -179.668 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.92 110.74 2.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.299 -0.875 . . . . 0.0 109.861 -179.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.7 p -67.01 -10.42 49.54 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.529 -0.732 . . . . 0.0 110.509 179.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -98.8 -33.42 10.91 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.931 -1.106 . . . . 0.0 111.135 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.468 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -136.73 14.62 3.14 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.788 -1.195 . . . . 0.0 110.034 -179.129 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.74 0.91 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.588 -0.695 . . . . 0.0 111.887 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 13.3 m -56.94 123.88 16.66 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.495 -1.378 . . . . 0.0 108.936 -179.522 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 2.8 pm0 -101.49 -13.91 17.72 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.633 -0.667 . . . . 0.0 109.877 -179.709 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.2 m -108.39 131.31 54.89 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.8 t -164.8 147.73 7.2 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 120.97 -1.081 . . . . 0.0 109.983 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.28 -21.55 30.9 Favored 'Trans proline' 0 N--CA 1.492 1.405 0 C-N-CA 122.253 1.969 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.82 138.63 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 O-C-N 121.191 -0.943 . . . . 0.0 110.03 -179.795 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -88.65 131.35 35.03 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-O 121.506 0.669 . . . . 0.0 110.101 -179.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -101.95 170.17 8.3 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -135.69 162.19 33.45 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.364 -0.835 . . . . 0.0 109.363 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.588 ' O ' ' N ' ' A' ' 28' ' ' GLU . 27.0 t30 -132.04 150.59 76.53 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -177.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -45.1 -3.01 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.986 1.79 . . . . 0.0 113.357 179.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.8 mt-10 -97.57 -18.16 19.11 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.801 -1.187 . . . . 0.0 108.299 178.864 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.67 6.13 73.57 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -84.15 148.24 52.76 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 120.807 -1.407 . . . . 0.0 108.788 179.242 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.35 144.68 20.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.294 1.996 . . . . 0.0 112.729 -179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 74.5 mt -140.0 147.11 39.95 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.511 -0.743 . . . . 0.0 109.346 179.178 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -73.19 176.05 6.24 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' ND2' ' OP2' ' C' ' 120' ' ' ' DA' . 34.9 p-10 -65.87 -40.88 92.05 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.83 -1.169 . . . . 0.0 110.667 -178.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -61.42 -52.92 62.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.884 -1.135 . . . . 0.0 111.442 -178.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 94.6 m -59.9 -43.59 94.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.683 -1.26 . . . . 0.0 109.968 -179.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.08 -50.91 62.48 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' H62' ' B' ' 106' ' ' ' DA' . 34.3 mt -68.58 -51.26 44.51 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.21 -1.17 . . . . 0.0 110.468 -179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 41.4 t80 -63.96 -51.18 65.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.178 -0.951 . . . . 0.0 111.24 -179.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 tp -60.02 -49.69 76.67 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.291 -0.881 . . . . 0.0 109.964 -177.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -61.15 -48.06 83.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.116 -0.99 . . . . 0.0 110.108 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.8 mt -69.95 -40.88 75.18 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.161 -0.962 . . . . 0.0 111.159 -178.627 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.625 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 70.0 m80 -83.44 -45.23 13.88 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.603 -1.311 . . . . 0.0 110.694 -178.296 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.85 9.07 69.88 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.976 179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.4 m -139.27 140.68 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 120.911 -1.347 . . . . 0.0 110.767 -179.453 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.8 m -59.21 143.59 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 CA-C-O 121.616 0.722 . . . . 0.0 110.571 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.485 ' NH1' ' OP1' ' C' ' 118' ' ' ' DC' . 51.3 ttt180 -153.05 138.63 11.74 Favored Pre-proline 0 N--CA 1.493 1.695 0 N-CA-C 107.305 -1.368 . . . . 0.0 107.305 179.222 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' ARG . 19.8 Cg_exo -26.75 102.38 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.917 2.411 . . . . 0.0 114.604 -178.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' LEU . 73.4 mt -60.05 -11.85 6.84 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 177.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.9 t -55.67 -6.58 0.21 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.787 -0.571 . . . . 0.0 109.627 -179.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' LEU . 45.0 mt -72.77 -39.51 66.72 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 178.322 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' NZ ' ' OD1' ' A' ' 54' ' ' ASP . 13.6 tmtt? -46.37 154.22 0.3 Allowed 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 121.813 0.816 . . . . 0.0 110.432 -179.777 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -148.15 168.61 21.99 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 178.407 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.415 ' OD1' ' NZ ' ' A' ' 52' ' ' LYS . 87.5 m-20 -97.43 4.87 50.45 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.085 -1.009 . . . . 0.0 109.072 -179.887 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.5 t -117.89 132.82 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.065 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.444 HG23 ' OP1' ' C' ' 120' ' ' ' DA' . 85.5 mt -111.25 130.03 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -78.89 131.68 36.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.066 -1.021 . . . . 0.0 109.301 -179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -84.04 123.44 30.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.442 -0.786 . . . . 0.0 109.702 -179.314 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -94.01 174.45 7.15 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 108.669 -179.249 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -75.82 -168.77 0.94 Allowed 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.269 -0.894 . . . . 0.0 109.81 -178.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' A' ' 61' ' ' ARG . 23.8 mtt-85 -145.9 164.62 31.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.212 -0.93 . . . . 0.0 109.78 -179.026 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -142.64 118.68 10.67 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.314 -0.866 . . . . 0.0 109.228 -179.815 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.1 t -144.02 167.27 22.75 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.292 -0.88 . . . . 0.0 108.989 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.93 -42.42 93.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.175 -0.953 . . . . 0.0 109.072 -179.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -86.83 -0.87 57.21 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.248 -0.907 . . . . 0.0 108.853 179.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.0 p . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.676 179.709 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.66 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C3'-C2'-C1' 107.145 3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.047 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 112.048 5.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.371 0 C3'-C2'-C1' 106.934 3.024 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 1 O4'-C1'-N19 111.409 4.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.433 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.612 0 O4'-C1'-N19 110.648 3.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.172 1 O4'-C1'-N19 111.537 4.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.665 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.57 1 O4'-C1'-N19 111.23 4.287 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.186 0 O4'-C1'-N19 110.657 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.547 0 O4'-C1'-N19 110.812 3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.688 1 O4'-C1'-N19 111.159 4.199 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.41 4.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.972 1 O4'-C1'-N19 111.435 4.544 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.9 1 O4'-C1'-N19 111.009 4.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.462 0 O4'-C1'-N19 110.983 3.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 111.098 4.123 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.683 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.53 2.434 0 O4'-C1'-N19 110.954 3.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.433 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.776 3.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.331 1 O4'-C1'-N19 111.739 4.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.871 0 O4'-C1'-N19 110.405 3.256 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.746 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.825 1 O4'-C1'-N19 111.154 4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 0 O4'-C1'-N19 110.495 3.369 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.307 0 O4'-C1'-N19 110.585 3.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ptm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -93.63 99.51 11.93 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.931 -1.105 . . . . 0.0 108.695 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 59.0 t-20 45.12 -114.74 0.44 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.424 -0.797 . . . . 0.0 110.122 -179.749 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 3' ' ' ASN . . . -51.81 144.67 16.49 Favored Glycine 0 N--CA 1.492 2.379 0 C-N-CA 120.209 -0.996 . . . . 0.0 110.809 -178.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 6' ' ' GLN . 1.7 pp20? -155.82 166.6 33.0 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.691 -0.888 . . . . 0.0 108.919 179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.531 ' N ' ' OE1' ' A' ' 5' ' ' GLU . 71.0 tp60 -159.56 -51.13 0.06 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.839 -1.163 . . . . 0.0 109.795 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -162.21 178.55 8.65 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.187 -0.946 . . . . 0.0 109.709 179.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.96 173.21 45.44 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.736 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.25 178.34 0.12 Allowed 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.607 2.205 . . . . 0.0 112.065 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 93.9 m -57.72 119.93 7.49 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.305 -0.872 . . . . 0.0 110.397 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.9 m -135.25 132.57 37.98 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.639 -0.663 . . . . 0.0 109.886 -179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' PHE . 6.6 t -65.78 107.88 1.94 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.918 -1.114 . . . . 0.0 109.314 179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.0 p -67.82 -10.09 49.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.756 -0.59 . . . . 0.0 110.67 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' N ' HD22 ' A' ' 14' ' ' ASN . 2.0 m120 -98.62 -32.83 11.23 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.115 -0.991 . . . . 0.0 110.411 -179.226 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.512 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 8.0 p -138.57 6.81 2.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.76 -1.212 . . . . 0.0 110.816 -179.214 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' CYS . 96.4 m-85 58.75 2.94 0.26 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.31 -0.869 . . . . 0.0 112.212 178.29 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.512 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 16.1 m -55.03 126.64 25.45 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.475 -1.391 . . . . 0.0 108.859 -179.554 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -101.01 -19.05 16.0 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 179.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.3 m -101.33 122.71 44.19 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.358 -0.839 . . . . 0.0 109.409 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -162.04 145.87 9.4 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.168 -0.957 . . . . 0.0 110.086 -179.176 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.87 -21.58 32.78 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 122.401 2.068 . . . . 0.0 111.786 179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.6 p -165.2 141.38 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.302 -0.874 . . . . 0.0 109.905 -179.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -91.33 131.88 36.54 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.453 0.644 . . . . 0.0 109.85 -179.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -99.88 167.01 10.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.57 -0.706 . . . . 0.0 109.158 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 25' ' ' ARG . 14.7 mmt-85 -129.35 156.21 44.4 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.571 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.596 ' O ' ' N ' ' A' ' 28' ' ' GLU . 9.0 t-20 -124.99 144.64 47.67 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.384 -0.823 . . . . 0.0 109.553 -179.062 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -42.23 -6.67 0.02 OUTLIER 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 122.604 2.203 . . . . 0.0 113.754 178.646 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.596 ' N ' ' O ' ' A' ' 26' ' ' ASN . 78.8 mm-40 -98.76 -15.09 19.44 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.89 -1.132 . . . . 0.0 108.768 179.09 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.44 7.22 67.43 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -84.06 137.91 40.07 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 120.853 -1.38 . . . . 0.0 109.235 179.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -73.72 139.1 27.42 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 122.365 2.043 . . . . 0.0 112.689 -179.944 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.6 mt -139.4 151.49 46.34 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.3 p -76.0 -171.67 1.74 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.138 -0.977 . . . . 0.0 108.733 178.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -74.46 -44.84 49.79 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.85 -1.156 . . . . 0.0 111.937 -178.543 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.667 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -63.01 -50.55 70.25 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.608 -1.308 . . . . 0.0 111.742 -178.452 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 61.2 m -53.52 -38.33 63.65 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.805 -1.184 . . . . 0.0 110.458 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -69.46 -43.72 67.97 Favored Glycine 0 N--CA 1.49 2.3 0 C-N-CA 120.02 -1.086 . . . . 0.0 110.708 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 82.5 mt -68.34 -53.86 21.26 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.293 -1.122 . . . . 0.0 111.97 -178.506 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' CE1' ' A' ' 43' ' ' HIS . 40.1 t80 -66.83 -50.83 61.31 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.342 -0.849 . . . . 0.0 112.25 -177.778 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -61.56 -50.21 73.54 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.378 -0.826 . . . . 0.0 111.582 -176.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.51 -42.02 98.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.972 -1.08 . . . . 0.0 110.15 -178.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.7 mt -69.95 -40.01 75.71 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.12 -0.988 . . . . 0.0 109.979 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' CE1' ' CD2' ' A' ' 39' ' ' PHE . 71.9 m80 -80.98 -40.36 24.5 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.223 -0.923 . . . . 0.0 110.333 -178.321 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.44 12.86 73.62 Favored Glycine 0 N--CA 1.493 2.463 0 O-C-N 120.701 -1.25 . . . . 0.0 111.164 179.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.8 m -138.47 175.77 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.033 -1.275 . . . . 0.0 109.495 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 26.0 m -54.21 149.84 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.315 -0.865 . . . . 0.0 110.127 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.683 HH21 ' P ' ' C' ' 119' ' ' ' DT' . 9.2 ttt-85 -119.16 128.94 25.66 Favored Pre-proline 0 N--CA 1.496 1.852 0 O-C-N 121.647 -0.658 . . . . 0.0 109.564 -179.48 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' SER . 33.3 Cg_endo -66.84 90.7 0.3 Allowed 'Trans proline' 0 N--CA 1.488 1.202 0 CA-C-N 119.955 1.02 . . . . 0.0 109.588 178.034 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.7 mt -58.13 -7.1 0.72 Allowed 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' PRO . 48.4 t -60.75 -15.12 26.08 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.677 -0.64 . . . . 0.0 109.551 179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 52' ' ' LYS . 25.5 mt -78.81 -29.05 44.63 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.504 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 51' ' ' LEU . 18.7 tptp -30.98 137.29 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 CA-C-O 122.026 0.917 . . . . 0.0 111.928 -179.64 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.44 161.41 40.47 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 177.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -98.38 4.55 48.54 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -178.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 74.6 t -113.4 131.71 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.597 -0.69 . . . . 0.0 109.435 179.663 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 84.6 mt -108.53 135.38 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -80.27 122.34 26.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.728 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -86.39 124.18 32.45 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.49 -0.756 . . . . 0.0 109.685 -179.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -98.46 178.74 4.93 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 109.278 -179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -76.64 -164.46 0.42 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.206 -0.934 . . . . 0.0 109.89 -178.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.559 HH11 ' HG2' ' A' ' 61' ' ' ARG . 20.2 mtt-85 -147.51 170.69 16.89 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -80.48 137.27 36.45 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.127 -0.983 . . . . 0.0 108.836 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.8 t -69.5 131.51 44.84 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.733 -179.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.64 147.29 49.37 Favored 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -129.37 133.78 47.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 -179.785 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 66' ' ' SER . 60.0 p . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 117.952 -1.023 . . . . 0.0 109.741 179.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.791 ' H6 ' HO5' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.585 0 O4'-C1'-N19 110.285 3.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.764 4.955 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 O4'-C1'-N19 110.601 3.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.642 1 O4'-C1'-N19 111.445 4.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.608 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 111.138 4.173 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.288 1 O4'-C1'-N19 111.65 4.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 0 O4'-C1'-N19 110.89 3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.374 0 O4'-C1'-N19 110.964 3.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.623 1 O4'-C1'-N19 111.109 4.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.85 0 O4'-C1'-N19 110.523 3.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.657 1 O4'-C1'-N19 111.326 4.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.926 1 O4'-C1'-N19 111.102 4.127 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.451 1 O4'-C1'-N19 111.015 4.019 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.4 1 O4'-C1'-N19 111.194 4.243 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.508 0 O4'-C1'-N19 110.553 3.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.258 1 O4'-C1'-N19 111.039 4.048 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.507 3.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.362 1 O4'-C1'-N19 111.407 4.508 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.417 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.066 0 O4'-C1'-N19 110.677 3.597 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.268 1 O4'-C1'-N19 111.604 4.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 0 O4'-C1'-N19 110.409 3.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.568 1 O4'-C1'-N19 111.371 4.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.373 0 O4'-C1'-N19 110.67 3.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.865 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.234 0.54 . . . . 0.0 109.762 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 56.57 52.52 9.67 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.273 -0.892 . . . . 0.0 109.185 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -98.09 10.47 40.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.426 -0.796 . . . . 0.0 109.247 -179.853 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.26 -64.97 2.76 Favored Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -93.73 40.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.31 -1.112 . . . . 0.0 109.561 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -62.28 140.03 58.5 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.896 -1.128 . . . . 0.0 109.928 -179.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -101.4 162.86 12.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.564 -0.71 . . . . 0.0 109.458 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.483 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 141.38 -50.41 0.73 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 74.3 Cg_exo -49.38 162.2 0.58 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.681 2.254 . . . . 0.0 112.966 -179.287 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 11' ' ' THR . 3.5 m -81.97 163.78 21.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.524 -0.735 . . . . 0.0 109.391 179.577 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 10' ' ' THR . 91.3 m -135.0 141.0 46.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.13 -0.981 . . . . 0.0 110.0 179.682 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -89.28 110.04 20.86 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.299 -0.875 . . . . 0.0 109.594 179.21 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 p -66.11 -11.04 46.29 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.492 -0.755 . . . . 0.0 110.443 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD22 ' A' ' 32' ' ' LEU . 66.3 m-20 -98.22 -33.13 11.23 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.987 -1.071 . . . . 0.0 111.021 -179.123 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 14.2 p -138.3 12.84 2.81 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.806 -1.183 . . . . 0.0 110.596 -179.408 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 55.66 0.02 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.292 -0.88 . . . . 0.0 112.115 178.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 15' ' ' CYS . 20.6 m -57.32 130.13 44.85 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.358 -1.464 . . . . 0.0 108.698 -179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -104.52 -6.03 20.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.667 -0.645 . . . . 0.0 109.439 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.8 m -112.85 125.49 54.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.539 -0.725 . . . . 0.0 109.121 -179.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.423 HG22 ' CZ2' ' A' ' 23' ' ' TRP . 6.1 t -164.08 146.47 7.42 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.045 -1.034 . . . . 0.0 109.884 -179.398 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.65 -21.56 39.03 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.214 1.943 . . . . 0.0 111.709 179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.57 144.23 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.264 -0.898 . . . . 0.0 109.833 -179.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CZ2' HG22 ' A' ' 20' ' ' THR . 93.4 m95 -95.88 131.7 41.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.38 -0.825 . . . . 0.0 110.449 -179.324 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -101.27 171.64 7.48 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -134.22 160.41 37.94 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.34 -0.85 . . . . 0.0 109.694 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.546 ' O ' ' N ' ' A' ' 28' ' ' GLU . 24.3 t30 -117.64 146.86 39.65 Favored Pre-proline 0 N--CA 1.495 1.796 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.138 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -48.79 -1.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 121.529 1.486 . . . . 0.0 112.778 179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 26' ' ' ASN . 98.9 mt-10 -103.55 -7.42 20.84 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.07 -1.019 . . . . 0.0 108.627 178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.33 14.56 66.03 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -84.99 144.37 41.46 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 120.889 -1.359 . . . . 0.0 109.178 179.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -78.29 130.69 10.25 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.372 2.048 . . . . 0.0 112.594 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.611 HD22 ' ND2' ' A' ' 14' ' ' ASN . 86.6 mt -132.96 147.69 52.28 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.726 . . . . 0.0 109.988 179.527 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.4 p -75.62 -176.66 3.35 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.261 -0.899 . . . . 0.0 108.797 178.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.74 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -70.04 -43.11 71.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.029 -1.045 . . . . 0.0 111.496 -179.163 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.691 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.57 -51.05 68.88 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.878 -1.139 . . . . 0.0 111.662 -178.19 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.5 m -59.79 -45.2 93.04 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.753 -1.217 . . . . 0.0 110.461 -178.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.39 -49.12 77.08 Favored Glycine 0 N--CA 1.491 2.333 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.533 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.608 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 85.5 mt -66.96 -53.65 29.61 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.273 -1.133 . . . . 0.0 109.803 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.624 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 57.8 t80 -64.73 -51.08 64.26 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.753 -0.592 . . . . 0.0 111.737 -178.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 44' ' ' GLY . 8.7 tp -61.62 -47.36 85.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.931 -1.106 . . . . 0.0 109.826 -178.195 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.2 tttp -60.93 -46.7 89.63 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.985 -1.072 . . . . 0.0 109.684 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.03 -42.53 72.82 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.927 . . . . 0.0 110.766 -178.722 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 75.6 m80 -83.64 -46.08 12.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.82 -1.175 . . . . 0.0 110.774 -178.434 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . 71.55 10.93 71.85 Favored Glycine 0 N--CA 1.493 2.458 0 O-C-N 120.642 -1.286 . . . . 0.0 111.702 178.916 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.6 m -140.73 145.31 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.884 0 O-C-N 120.86 -1.376 . . . . 0.0 109.802 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -53.93 147.76 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.42 -0.8 . . . . 0.0 110.044 -179.406 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.9 OUTLIER -150.75 131.37 7.16 Favored Pre-proline 0 N--CA 1.489 1.52 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.141 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.474 ' HD2' ' HE ' ' A' ' 47' ' ' ARG . 13.5 Cg_exo -30.03 103.48 0.03 OUTLIER 'Trans proline' 0 N--CA 1.489 1.212 0 C-N-CA 122.526 2.151 . . . . 0.0 113.502 -179.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' C ' ' N ' ' A' ' 51' ' ' LEU . 99.2 mt -60.3 -13.89 15.28 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 54.3 p -56.12 -7.87 0.4 Allowed 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.44 -0.787 . . . . 0.0 109.15 -179.587 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 49' ' ' LEU . 31.7 mt -71.95 -40.01 68.98 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 178.41 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 15' ' ' CYS . 1.7 tmtp? -44.56 155.08 0.1 Allowed 'General case' 0 N--CA 1.491 1.58 0 CA-C-O 121.402 0.62 . . . . 0.0 110.032 179.643 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.22 167.44 26.0 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 178.776 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -92.3 -5.15 52.86 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.907 -1.121 . . . . 0.0 108.848 -179.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.36 133.32 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -109.32 135.96 46.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 179.818 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.27 125.39 29.8 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.969 -1.082 . . . . 0.0 108.509 -179.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -85.57 124.66 32.38 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.357 -0.84 . . . . 0.0 110.221 -179.083 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -96.96 174.4 6.8 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.344 -0.848 . . . . 0.0 108.966 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -77.54 -166.32 0.74 Allowed 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.238 -0.914 . . . . 0.0 109.484 -178.848 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 63.9 mtm-85 -146.67 149.71 34.01 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.25 -0.906 . . . . 0.0 109.387 179.493 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.42 132.7 34.36 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.313 -0.867 . . . . 0.0 109.287 179.79 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.6 t -86.12 45.4 1.22 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.178 -0.951 . . . . 0.0 110.058 -179.192 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 52.97 27.69 5.86 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.123 -0.986 . . . . 0.0 108.943 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -159.74 138.06 10.39 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.431 -0.793 . . . . 0.0 109.101 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.123 -0.942 . . . . 0.0 108.944 179.597 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.761 HO5' ' H6 ' ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.481 0 C3'-C2'-C1' 107.074 3.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.795 0 O4'-C1'-N19 110.612 3.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.894 0 O4'-C1'-N19 110.602 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.048 1 O4'-C1'-N19 112.043 5.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.526 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.526 1 O4'-C1'-N19 111.31 4.388 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.303 1 O4'-C1'-N19 111.656 4.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.117 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.03 0 O4'-C1'-N19 110.724 3.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.315 0 O4'-C1'-N19 110.178 2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.822 1 O4'-C1'-N19 111.731 4.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.244 0 O4'-C1'-N19 110.779 3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 1 O4'-C1'-N19 111.324 4.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.584 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.721 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.401 1 O4'-C1'-N19 111.061 4.076 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 0 O4'-C1'-N19 110.837 3.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 111.19 4.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.87 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.376 1 O4'-C1'-N19 111.786 4.982 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.595 ' N3 ' ' NH2' ' A' ' 59' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 2.942 0 O4'-C1'-N19 110.817 3.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.136 1 O4'-C1'-N19 111.65 4.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.748 1 O4'-C1'-N19 111.051 4.063 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.656 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.668 0 O4'-C1'-N19 110.853 3.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.903 0 O4'-C1'-N19 110.579 3.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.593 3.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 50.01 -142.81 0.6 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.966 -1.084 . . . . 0.0 109.761 179.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -145.07 99.88 3.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.107 -0.996 . . . . 0.0 109.763 -179.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 5' ' ' GLU . . . -80.16 44.22 2.8 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.894 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 4' ' ' GLY . 97.7 mt-10 54.54 154.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 121.872 0.844 . . . . 0.0 110.289 -179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' O ' ' OD1' ' A' ' 7' ' ' ASN . 28.5 mm100 -101.18 -38.69 8.01 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 178.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' A' ' 6' ' ' GLN . 91.2 m-20 -148.98 100.46 3.07 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.879 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 7' ' ' ASN . . . 43.56 -165.48 0.03 OUTLIER Glycine 0 N--CA 1.497 2.72 0 N-CA-C 109.781 -1.327 . . . . 0.0 109.781 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -83.45 -170.64 0.92 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.321 2.014 . . . . 0.0 111.745 179.621 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.7 m -61.15 108.43 0.9 Allowed 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.168 -0.958 . . . . 0.0 108.86 179.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.6 m -136.32 133.12 36.54 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 -179.588 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 16' ' ' PHE . 8.9 t -58.19 112.45 1.54 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.132 -0.98 . . . . 0.0 110.264 -179.176 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -66.93 -10.47 49.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.661 -0.649 . . . . 0.0 110.795 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -101.25 -32.31 10.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.964 -1.085 . . . . 0.0 111.005 -179.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.9 p -138.14 12.4 2.84 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.91 -1.119 . . . . 0.0 110.227 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' CYS . 98.1 m-85 57.5 4.59 0.24 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.554 -0.716 . . . . 0.0 112.146 178.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.3 m -57.61 127.12 30.42 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.343 -1.473 . . . . 0.0 109.28 -179.139 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -103.52 -11.97 17.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.604 -0.685 . . . . 0.0 109.192 179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -110.8 125.23 53.34 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -163.37 149.59 9.99 Favored Pre-proline 0 N--CA 1.489 1.515 0 O-C-N 121.143 -0.973 . . . . 0.0 109.994 -179.519 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' CG ' ' ND2' ' A' ' 34' ' ' ASN . 51.7 Cg_endo -68.62 -22.66 37.64 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.355 2.037 . . . . 0.0 111.714 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.15 138.45 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.041 -1.064 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.26 135.5 33.29 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.481 0.658 . . . . 0.0 110.178 -179.428 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.79 166.57 10.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.708 -0.62 . . . . 0.0 109.868 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -119.63 149.11 42.51 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 179.14 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.4 t30 -119.09 145.54 38.39 Favored Pre-proline 0 N--CA 1.496 1.828 0 O-C-N 121.572 -0.705 . . . . 0.0 109.718 -178.336 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -45.83 -8.15 0.03 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.525 1.483 . . . . 0.0 112.364 178.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 26' ' ' ASN . 49.4 mt-10 -101.24 -13.9 17.91 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.03 -1.044 . . . . 0.0 109.723 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.95 12.56 68.17 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.174 -1.57 . . . . 0.0 109.174 -178.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -89.28 116.2 65.71 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.286 -1.126 . . . . 0.0 108.692 178.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.24 141.73 80.09 Favored 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 121.66 1.573 . . . . 0.0 113.264 179.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.3 mt -139.01 153.02 48.08 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.776 -0.577 . . . . 0.0 109.634 179.437 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -76.1 -179.94 5.28 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 41.0 p-10 -67.38 -41.35 85.18 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 120.588 -1.32 . . . . 0.0 110.751 -179.166 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -63.7 -51.5 64.75 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.85 -1.156 . . . . 0.0 112.477 -178.241 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.94 -43.57 94.9 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.4 -1.437 . . . . 0.0 110.359 -178.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.78 -49.64 66.96 Favored Glycine 0 N--CA 1.487 2.063 0 C-N-CA 119.216 -1.468 . . . . 0.0 109.63 -179.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.93 -48.94 67.08 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 120.945 -1.327 . . . . 0.0 110.352 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.626 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 45.4 t80 -68.94 -48.57 62.92 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.036 -1.04 . . . . 0.0 112.043 -178.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.7 tp -60.09 -48.08 83.19 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.89 -1.131 . . . . 0.0 111.039 -177.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -61.7 -46.58 89.08 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.594 -1.317 . . . . 0.0 110.988 -179.18 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.3 mt -68.7 -39.64 80.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.2 -0.937 . . . . 0.0 110.323 -178.475 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.626 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 61.7 m80 -82.88 -44.9 14.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.87 -1.144 . . . . 0.0 110.871 -177.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 7.22 67.47 Favored Glycine 0 N--CA 1.492 2.38 0 O-C-N 120.403 -1.436 . . . . 0.0 111.33 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.8 m -141.25 142.18 29.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 120.815 -1.403 . . . . 0.0 110.127 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.75 142.7 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.302 -0.874 . . . . 0.0 109.915 -179.631 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -140.92 135.99 15.84 Favored Pre-proline 0 N--CA 1.493 1.68 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -32.36 100.15 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.285 0 C-N-CA 122.526 2.15 . . . . 0.0 113.528 179.488 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.5 mt -60.94 -11.83 9.28 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 178.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.3 m -60.42 -9.71 3.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.458 -0.776 . . . . 0.0 109.128 179.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.41 -39.2 65.23 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.429 -0.794 . . . . 0.0 109.05 -179.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -45.8 161.5 0.04 OUTLIER 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.709 0.766 . . . . 0.0 110.358 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -147.52 162.39 39.17 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.763 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -90.84 -1.73 57.82 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.043 -1.035 . . . . 0.0 108.433 -179.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.75 134.71 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.182 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 87.2 mt -113.25 130.25 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.523 -0.736 . . . . 0.0 109.667 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -80.87 126.94 31.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.379 -0.825 . . . . 0.0 109.188 179.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -86.85 127.17 35.03 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.19 -0.944 . . . . 0.0 109.883 -179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 53.4 mtm180 -98.91 -176.93 3.48 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -72.73 175.11 6.74 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 122.194 0.997 . . . . 0.0 111.705 -176.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -140.48 139.05 35.07 Favored 'General case' 0 N--CA 1.492 1.668 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.365 -179.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -94.35 118.94 32.37 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 59.9 p -140.7 -15.41 0.92 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.385 -0.822 . . . . 0.0 108.938 -179.497 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.49 91.55 5.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.46 -0.775 . . . . 0.0 109.397 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -152.45 136.48 16.42 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.395 -0.816 . . . . 0.0 109.606 179.832 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.927 -1.035 . . . . 0.0 109.349 -179.939 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.525 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.541 0 O4'-C1'-N19 110.658 3.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.584 0 O4'-C1'-N19 110.935 3.919 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 111.946 5.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.036 0 C3'-C2'-C1' 106.815 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.588 1 O4'-C1'-N19 111.944 5.18 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.537 3.225 0 O4'-C1'-N19 110.364 3.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.757 4.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.877 1 O4'-C1'-N19 111.116 4.145 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.36 1 O4'-C1'-N19 111.147 4.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.009 0 O4'-C1'-N19 110.463 3.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.068 0 O4'-C1'-N19 110.891 3.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.874 0 O4'-C1'-N19 110.898 3.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 1 O4'-C1'-N19 111.035 4.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.548 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.513 0 O4'-C1'-N19 110.978 3.972 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.635 0 O4'-C1'-N19 110.839 3.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.076 0 O4'-C1'-N19 110.418 3.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.991 0 O4'-C1'-N19 110.625 3.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.685 0 O4'-C1'-N19 110.763 3.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.523 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.531 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.518 1 O4'-C1'-N19 111.016 4.02 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . 0.437 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.374 1 O4'-C1'-N19 111.54 4.674 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 O4'-C1'-N19 110.918 3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 111.132 4.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 0 O4'-C1'-N19 110.984 3.98 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.336 1 O4'-C1'-N19 111.171 4.213 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 0 O4'-C1'-N19 110.957 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.533 ' C ' ' H ' ' A' ' 3' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? 61.19 1.1 0.47 Allowed 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -179.054 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 1' ' ' MET . 84.8 m-20 -97.39 72.45 2.38 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.408 -0.807 . . . . 0.0 108.89 179.663 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 5' ' ' GLU . . . -60.82 -43.48 99.17 Favored Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 4' ' ' GLY . 26.8 tp10 39.95 -130.33 0.32 Allowed 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.803 -0.822 . . . . 0.0 109.452 -179.57 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -104.54 118.32 36.31 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -151.62 139.54 19.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.14 -0.975 . . . . 0.0 109.01 179.733 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' A' ' 9' ' ' PRO . . . 139.81 -41.0 1.35 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 -179.626 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 8' ' ' GLY . 62.5 Cg_exo -52.75 151.17 20.29 Favored 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 122.252 1.968 . . . . 0.0 112.723 -179.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 11' ' ' THR . 1.7 m -81.16 168.76 18.2 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.462 ' N ' ' CG2' ' A' ' 10' ' ' THR . 99.6 m -129.11 138.06 51.6 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.07 -1.019 . . . . 0.0 109.863 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -81.22 108.34 14.77 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.082 -1.011 . . . . 0.0 109.86 179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.1 p -65.59 -10.0 31.62 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.858 -0.526 . . . . 0.0 110.263 179.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' OD1' HD22 ' A' ' 32' ' ' LEU . 2.2 m120 -100.01 -34.2 10.18 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.115 -0.991 . . . . 0.0 111.527 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.5 p -137.87 10.35 2.85 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.771 -1.205 . . . . 0.0 110.764 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 59.9 2.6 0.4 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.402 -0.811 . . . . 0.0 111.971 178.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 7.4 m -54.68 125.89 21.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.258 -1.526 . . . . 0.0 109.14 -179.295 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -101.28 -16.04 17.08 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 178.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 m -105.3 124.27 49.26 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.585 -0.697 . . . . 0.0 109.387 -179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -164.91 145.62 6.18 Favored Pre-proline 0 N--CA 1.488 1.471 0 O-C-N 121.166 -0.959 . . . . 0.0 109.484 179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.09 -20.66 37.7 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.265 1.977 . . . . 0.0 112.032 179.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -165.57 150.1 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.13 -0.982 . . . . 0.0 110.09 -179.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.406 ' CE2' ' HB ' ' A' ' 10' ' ' THR . 82.8 m95 -98.79 131.15 45.13 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-O 121.718 0.771 . . . . 0.0 110.374 -179.758 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -101.22 169.83 8.65 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 179.195 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -135.75 160.27 39.06 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.464 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.835 HD22 ' H ' ' A' ' 28' ' ' GLU . 1.3 t30 -126.84 146.43 57.3 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -179.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -41.79 -4.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 122.161 1.908 . . . . 0.0 114.114 179.392 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.835 ' H ' HD22 ' A' ' 26' ' ' ASN . 0.4 OUTLIER -96.46 -14.92 22.02 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.682 -1.261 . . . . 0.0 108.509 178.404 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.2 6.65 78.2 Favored Glycine 0 N--CA 1.491 2.332 0 N-CA-C 110.516 -1.033 . . . . 0.0 110.516 179.811 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -81.19 140.74 49.41 Favored Pre-proline 0 N--CA 1.491 1.614 0 O-C-N 121.025 -1.28 . . . . 0.0 108.56 179.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.28 136.03 23.58 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.966 1.777 . . . . 0.0 112.332 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 HD22 ' OD1' ' A' ' 14' ' ' ASN . 85.1 mt -135.8 143.46 45.2 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 179.384 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 18.1 p -73.14 -175.62 1.89 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.898 -1.126 . . . . 0.0 108.723 178.876 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.764 HD22 ' N ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -69.52 -45.86 67.86 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.818 -1.176 . . . . 0.0 112.033 -178.452 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.682 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.91 -51.22 67.8 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.475 -1.391 . . . . 0.0 111.55 -178.415 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.0 m -56.09 -40.25 73.36 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.679 -1.263 . . . . 0.0 109.83 -179.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.94 -49.12 56.67 Favored Glycine 0 N--CA 1.489 2.201 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.836 -178.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.85 -49.43 68.19 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.039 -1.271 . . . . 0.0 111.081 -178.867 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 25.8 t80 -69.84 -49.53 51.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.886 -1.133 . . . . 0.0 111.178 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.96 -50.01 75.42 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.364 -0.835 . . . . 0.0 110.641 -177.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -63.65 -41.22 98.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.88 -1.137 . . . . 0.0 110.022 -179.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.6 mt -69.63 -40.02 76.82 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.222 -0.924 . . . . 0.0 110.309 -179.007 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.591 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 72.5 m80 -87.73 -37.17 16.9 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.745 -1.222 . . . . 0.0 111.474 -178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.92 71.45 Favored Glycine 0 N--CA 1.491 2.337 0 O-C-N 120.465 -1.397 . . . . 0.0 110.598 179.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.1 m -141.91 142.9 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 120.957 -1.319 . . . . 0.0 110.478 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.4 m -55.69 141.94 11.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.4 0 CA-C-O 121.717 0.77 . . . . 0.0 109.531 179.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -139.74 137.43 18.53 Favored Pre-proline 0 N--CA 1.491 1.59 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' C ' ' N ' ' A' ' 50' ' ' SER . 17.0 Cg_exo -33.18 104.44 0.03 OUTLIER 'Trans proline' 0 C--N 1.314 -1.259 0 C-N-CA 122.324 2.016 . . . . 0.0 113.519 -178.647 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.6 mt -58.25 -8.8 1.22 Allowed 'General case' 0 N--CA 1.487 1.425 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.47 ' N ' ' C ' ' A' ' 48' ' ' PRO . 31.6 t -57.51 -9.8 1.24 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.4 mt -74.52 -40.01 62.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.244 -0.91 . . . . 0.0 108.613 179.129 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -52.43 156.02 1.91 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-O 121.578 0.704 . . . . 0.0 110.602 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 t -151.01 172.65 15.39 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.385 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -93.56 1.47 56.7 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.069 -1.019 . . . . 0.0 109.821 -179.185 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 55' ' ' VAL . 10.5 p -116.88 133.38 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 86.3 mt -107.1 137.9 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.463 -0.773 . . . . 0.0 108.928 179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.23 120.63 23.99 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.385 -0.822 . . . . 0.0 108.912 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -83.03 119.02 23.93 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.133 -0.979 . . . . 0.0 108.564 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.433 ' HG3' HH11 ' A' ' 59' ' ' ARG . 27.9 mmm-85 -98.8 -179.38 4.27 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.354 -0.841 . . . . 0.0 109.223 -179.099 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -73.04 -173.04 1.16 Allowed 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.47 -0.768 . . . . 0.0 110.313 -177.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' CG ' HH11 ' A' ' 61' ' ' ARG . 0.3 OUTLIER -139.85 156.38 46.75 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 -179.769 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 61' ' ' ARG . 80.6 m-20 -149.72 26.92 0.82 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.989 -1.069 . . . . 0.0 109.055 179.804 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.5 t -64.1 -42.05 97.05 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.562 -0.711 . . . . 0.0 109.895 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.41 121.18 27.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.192 -0.943 . . . . 0.0 109.423 -179.778 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 66' ' ' SER . 20.6 t-20 54.68 -121.27 1.77 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.376 -0.827 . . . . 0.0 109.706 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 29.0 p . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.31 -179.657 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.424 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.617 0 O4'-C1'-N19 110.968 3.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.125 1 O4'-C1'-N19 111.087 4.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.388 1 O4'-C1'-N19 112.277 5.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.648 0 O4'-C1'-N19 110.852 3.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' H62' HD22 ' A' ' 38' ' ' LEU . . . . . . . . 0 C5'--C4' 1.534 2.855 0 O4'-C1'-N19 110.609 3.511 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.6 1 O4'-C1'-N19 111.553 4.692 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 1 O4'-C1'-N19 111.119 4.149 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 0 O4'-C1'-N19 110.588 3.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.242 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.309 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.815 1 O4'-C1'-N19 111.294 4.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.531 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.528 2.128 0 O4'-C1'-N19 110.869 3.837 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.625 1 O4'-C1'-N19 111.011 4.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.295 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.417 1 O4'-C1'-N19 111.274 4.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.452 4.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.826 1 O4'-C1'-N19 111.247 4.309 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.512 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.538 3.321 0 O4'-C1'-N19 110.946 3.933 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.086 1 O4'-C1'-N19 111.848 5.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 0 O4'-C1'-N19 110.552 3.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.802 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.552 0 O4'-C1'-N19 110.977 3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.817 0 O4'-C1'-N19 110.78 3.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.786 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.9 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.35 143.79 53.65 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -81.84 109.43 16.21 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.987 -1.07 . . . . 0.0 110.104 -179.039 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.26 -169.47 32.22 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.084 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -141.13 153.16 45.25 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.377 -1.072 . . . . 0.0 108.877 179.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.652 ' CD ' ' H ' ' A' ' 6' ' ' GLN . 3.2 pm0 -89.55 -7.36 55.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.973 -1.079 . . . . 0.0 108.966 179.326 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -84.65 77.83 9.97 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 179.435 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 10' ' ' THR . . . -100.79 -174.33 29.36 Favored Glycine 0 N--CA 1.492 2.397 0 N-CA-C 108.248 -1.941 . . . . 0.0 108.248 179.535 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -62.51 4.96 0.29 Allowed 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 121.832 1.688 . . . . 0.0 110.984 179.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.507 ' H ' ' C ' ' A' ' 8' ' ' GLY . 43.6 m -69.84 103.02 2.08 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -179.838 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.4 m -136.32 144.46 44.7 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.682 -0.636 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.4 t -67.79 109.69 3.47 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.414 -0.804 . . . . 0.0 109.081 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -65.14 -12.18 48.21 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.591 -0.693 . . . . 0.0 111.16 -179.364 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.517 ' O ' HD13 ' A' ' 49' ' ' LEU . 4.3 m120 -99.35 -31.01 11.9 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.853 -1.154 . . . . 0.0 111.26 -179.085 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -137.57 11.81 2.96 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.848 -1.157 . . . . 0.0 111.003 -178.805 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 57.45 2.44 0.14 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.154 -0.966 . . . . 0.0 112.791 178.226 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 18.7 m -57.51 130.03 44.49 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.306 -1.496 . . . . 0.0 110.063 -179.283 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 2.8 pm0 -107.54 -4.8 18.02 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.0 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -119.15 127.77 53.64 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 109.388 -179.851 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.24 149.33 6.51 Favored Pre-proline 0 N--CA 1.488 1.47 0 O-C-N 121.07 -1.019 . . . . 0.0 110.591 -179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -68.47 -24.94 35.86 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.59 2.194 . . . . 0.0 111.114 178.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 p -162.36 138.61 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.221 -0.924 . . . . 0.0 110.391 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -89.51 131.14 35.68 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 121.613 0.72 . . . . 0.0 110.511 -179.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -101.68 167.24 10.23 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.527 -0.733 . . . . 0.0 109.102 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -134.92 160.13 39.24 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.367 -0.833 . . . . 0.0 109.297 179.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' C ' ' H ' ' A' ' 28' ' ' GLU . 1.6 t-20 -128.33 149.94 72.83 Favored Pre-proline 0 N--CA 1.494 1.725 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -178.461 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.05 -0.31 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.956 1.771 . . . . 0.0 112.462 -179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.507 ' H ' ' C ' ' A' ' 26' ' ' ASN . 46.0 mt-10 -97.06 -15.09 21.17 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 177.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.41 12.37 78.58 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 -179.486 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -83.31 122.33 77.21 Favored Pre-proline 0 N--CA 1.488 1.433 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.496 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.34 139.89 92.34 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.394 1.396 . . . . 0.0 112.309 -179.602 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 82.6 mt -139.38 149.8 44.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.635 -0.665 . . . . 0.0 109.694 179.407 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 19.4 p -78.0 -169.54 1.6 Allowed 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 179.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -75.07 -43.72 51.58 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.117 -0.989 . . . . 0.0 110.941 -179.447 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.675 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -62.1 -52.8 62.42 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.175 -0.953 . . . . 0.0 111.612 -178.055 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.2 m -58.61 -42.44 88.19 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.107 -0.996 . . . . 0.0 110.558 -178.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.83 -48.7 84.95 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.834 -1.306 . . . . 0.0 109.834 -179.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 45.4 mt -69.74 -50.95 38.51 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.084 -1.245 . . . . 0.0 110.814 -179.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 32.9 t80 -69.3 -50.54 45.73 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.377 -0.827 . . . . 0.0 112.274 -177.713 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.14 -49.9 75.81 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.189 -0.944 . . . . 0.0 110.482 -176.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.53 -42.97 98.4 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 120.937 -1.102 . . . . 0.0 110.258 -179.206 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 42' ' ' LEU . 87.7 mt -69.66 -40.28 76.54 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.861 -1.149 . . . . 0.0 110.368 -178.594 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.6 m80 -86.07 -34.26 20.74 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.786 -1.196 . . . . 0.0 111.478 -178.623 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.9 6.64 56.91 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.422 -1.424 . . . . 0.0 110.826 179.964 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 m -140.58 143.3 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 120.92 -1.341 . . . . 0.0 110.507 179.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.3 m -56.84 152.9 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 CA-C-O 121.592 0.711 . . . . 0.0 110.661 179.932 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HA ' ' HE ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.79 137.35 15.04 Favored Pre-proline 0 N--CA 1.493 1.704 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.683 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' ARG . 50.1 Cg_exo -31.75 97.44 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.021 0 C-N-CA 122.256 1.971 . . . . 0.0 112.35 179.546 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 14' ' ' ASN . 64.8 mt -58.94 -14.07 8.19 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 179.921 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.5 m -60.0 -8.03 2.09 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.47 -0.769 . . . . 0.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.76 -31.85 63.52 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 178.73 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' CG ' ' N ' ' A' ' 53' ' ' THR . 38.1 tttm -44.36 160.89 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 122.28 1.038 . . . . 0.0 111.165 -179.613 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 1.6 t -150.06 168.08 24.93 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -98.29 6.15 47.65 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.228 -0.92 . . . . 0.0 109.449 -179.461 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.2 p -127.11 143.91 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.6 mt -119.09 137.8 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.645 -0.659 . . . . 0.0 109.396 -179.209 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.77 129.27 36.06 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.469 -0.769 . . . . 0.0 109.09 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.24 121.84 29.39 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.505 -0.747 . . . . 0.0 109.466 -179.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.522 HH11 ' HG2' ' A' ' 59' ' ' ARG . 8.2 mmt-85 -94.79 176.53 6.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.012 -1.055 . . . . 0.0 108.45 -179.726 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -75.67 -171.43 1.56 Allowed 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.972 -1.08 . . . . 0.0 109.086 -179.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -151.45 159.53 44.16 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 179.217 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -84.17 156.99 21.81 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.9 m -68.22 113.67 6.05 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.136 -0.978 . . . . 0.0 108.978 179.991 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.75 -1.32 40.79 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.274 -0.892 . . . . 0.0 109.82 -179.676 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' ND2' ' H ' ' A' ' 66' ' ' SER . 2.8 t-20 -144.77 151.64 39.15 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.068 -1.02 . . . . 0.0 108.987 179.694 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.441 ' H ' ' ND2' ' A' ' 65' ' ' ASN . 22.5 t . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.014 -1.054 . . . . 0.0 109.505 -179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.802 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.81 0 C3'-C2'-C1' 106.876 2.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 1 O4'-C1'-N19 111.185 4.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.464 " H2'" ' H72' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.534 2.879 1 O4'-C1'-N19 111.603 4.754 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.464 ' H72' " H2'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.363 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.759 1 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.042 0 O4'-C1'-N19 110.655 3.569 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.159 1 O4'-C1'-N19 111.529 4.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.791 0 O4'-C1'-N19 110.815 3.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.505 0 O4'-C1'-N19 110.985 3.981 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.316 0 O4'-C1'-N19 110.804 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.765 0 O4'-C1'-N19 110.465 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.674 0 O4'-C1'-N19 110.785 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.479 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.559 0 O4'-C1'-N19 110.767 3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.697 0 O4'-C1'-N19 110.818 3.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.77 1 O4'-C1'-N19 111.073 4.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.54 3.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.444 ' OP2' ' NE2' ' A' ' 43' ' ' HIS . . . . . . . . 0 C5'--C4' 1.533 2.709 0 O4'-C1'-N19 110.836 3.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.473 0 O4'-C1'-N19 110.887 3.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.54 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.849 1 O4'-C1'-N19 111.053 4.066 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.267 1 O4'-C1'-N19 111.516 4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . 0.514 " C3'" HD21 ' A' ' 62' ' ' ASN . . . . . . . . 0 C5'--C4' 1.528 2.186 0 O4'-C1'-N19 110.672 3.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 111.299 4.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.176 1 O4'-C1'-N19 111.053 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.84 0 O4'-C1'-N19 110.4 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.075 0 O4'-C1'-N19 110.721 3.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -135.57 158.8 43.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.432 -0.793 . . . . 0.0 109.336 -179.92 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -52.72 144.49 14.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.251 -0.906 . . . . 0.0 109.124 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . 161.03 -36.09 0.41 Allowed Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 7' ' ' ASN . 87.8 tt0 59.3 -80.59 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.592 -0.946 . . . . 0.0 108.866 -179.56 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLY . 96.0 mt-30 51.21 31.79 7.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.222 -0.924 . . . . 0.0 110.082 179.266 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 6' ' ' GLN . 7.0 p30 42.95 20.02 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.285 -0.885 . . . . 0.0 110.274 179.786 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 10' ' ' THR . . . 129.16 171.79 13.03 Favored Glycine 0 N--CA 1.495 2.63 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -179.742 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -64.21 23.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.757 2.305 . . . . 0.0 111.749 179.306 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.578 ' H ' ' C ' ' A' ' 8' ' ' GLY . 40.1 m -57.8 116.62 3.56 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.472 0.653 . . . . 0.0 110.146 -179.176 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 53.2 m -138.95 128.71 24.82 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.47 -0.769 . . . . 0.0 109.228 179.552 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.3 t -57.32 110.82 0.92 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.229 -0.919 . . . . 0.0 109.437 -179.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.1 p -65.69 -10.3 35.27 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.681 -0.637 . . . . 0.0 110.207 -179.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.75 -32.31 10.77 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.067 -1.021 . . . . 0.0 111.24 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 12.1 p -140.81 17.18 2.32 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 120.775 -1.203 . . . . 0.0 111.2 -178.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 56.22 0.34 0.06 Allowed 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.163 -0.961 . . . . 0.0 112.531 177.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 27.2 m -54.68 130.37 40.17 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.294 -1.504 . . . . 0.0 109.987 -178.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' CD ' HE22 ' A' ' 6' ' ' GLN . 92.9 mt-30 -107.63 -6.49 16.88 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.699 -0.626 . . . . 0.0 110.126 -179.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.3 m -119.98 129.98 54.55 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.448 -0.782 . . . . 0.0 109.034 -179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.4 t -163.8 149.46 9.36 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 120.999 -1.063 . . . . 0.0 109.616 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -67.63 -25.51 40.47 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.167 1.911 . . . . 0.0 111.676 179.87 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.7 p -165.22 134.4 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -0.857 . . . . 0.0 109.648 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -84.92 137.58 33.03 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.203 -0.936 . . . . 0.0 110.094 -179.253 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -101.94 169.41 8.79 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.447 -0.783 . . . . 0.0 109.161 179.924 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -124.34 152.43 43.14 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.346 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' O ' ' N ' ' A' ' 28' ' ' GLU . 4.1 t-20 -120.69 145.29 40.73 Favored Pre-proline 0 N--CA 1.501 2.113 0 O-C-N 121.292 -0.88 . . . . 0.0 109.467 -179.346 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -43.61 -6.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.514 2.143 . . . . 0.0 113.826 179.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' ASN . 0.7 OUTLIER -102.93 -9.95 19.42 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.12 -0.988 . . . . 0.0 108.785 179.502 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.26 9.92 75.4 Favored Glycine 0 N--CA 1.489 2.179 0 N-CA-C 110.248 -1.141 . . . . 0.0 110.248 -179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -84.38 139.4 38.71 Favored Pre-proline 0 N--CA 1.491 1.593 0 O-C-N 120.924 -1.339 . . . . 0.0 108.946 179.371 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 140.55 20.61 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 121.88 1.72 . . . . 0.0 112.188 -179.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.4 mt -139.73 150.71 45.14 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 179.996 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.8 p -73.92 172.46 11.55 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 178.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 36.4 p-10 -60.75 -42.98 98.48 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.869 -1.145 . . . . 0.0 111.462 -178.656 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -60.66 -53.08 61.78 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.107 -0.995 . . . . 0.0 111.672 -178.309 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' CB ' ' A' ' 40' ' ' LEU . 97.9 m -60.17 -47.06 87.52 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.047 -1.033 . . . . 0.0 110.557 -178.728 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.13 -51.35 59.71 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.2 mt -65.65 -49.97 66.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.316 -1.108 . . . . 0.0 110.349 -179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.0 t80 -68.47 -46.41 69.8 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.012 -1.055 . . . . 0.0 111.559 -178.354 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 36' ' ' CYS . 43.4 tp -60.51 -49.93 75.6 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.074 -1.016 . . . . 0.0 110.21 -178.284 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -65.63 -43.16 90.37 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.189 -0.944 . . . . 0.0 110.386 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.09 -42.77 72.3 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.169 -0.957 . . . . 0.0 111.002 -178.305 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 76.0 m80 -85.56 -40.27 16.47 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.68 -1.263 . . . . 0.0 110.615 -178.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.36 9.45 64.39 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.69 -1.256 . . . . 0.0 111.492 178.758 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.7 m -140.73 143.71 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 120.735 -1.45 . . . . 0.0 110.544 -179.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -50.45 146.76 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.756 -0.59 . . . . 0.0 109.655 -179.746 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 48' ' ' PRO . 16.7 tpt180 -152.25 134.08 8.4 Favored Pre-proline 0 N--CA 1.491 1.607 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.908 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' ARG . 12.3 Cg_exo -31.91 97.47 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.51 2.14 . . . . 0.0 113.711 179.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.8 mt -60.72 -19.84 59.75 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 178.596 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.3 t -57.79 -6.71 0.57 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.605 -0.684 . . . . 0.0 109.979 -179.367 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.2 mt -74.43 -36.76 63.43 Favored 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 179.049 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' H ' ' A' ' 53' ' ' THR . 39.3 tptt -50.7 164.07 0.16 Allowed 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 179.281 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.419 ' H ' ' HD2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -148.69 171.23 16.54 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.015 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -92.46 -0.07 57.39 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.02 -179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 59.2 t -117.57 137.91 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.014 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 79.9 mt -113.08 133.3 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.373 -0.829 . . . . 0.0 109.627 -179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -77.9 123.9 27.34 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.105 -0.997 . . . . 0.0 108.603 179.884 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -84.85 124.3 31.45 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.396 -0.815 . . . . 0.0 110.169 -178.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.467 ' HE ' ' HA ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -94.4 175.53 6.65 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.367 -0.833 . . . . 0.0 108.817 -179.685 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -71.62 -175.31 1.3 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.075 -1.015 . . . . 0.0 110.708 -177.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -148.14 -174.15 4.5 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 -178.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.514 HD21 " C3'" ' C' ' 122' ' ' ' DC' . 96.8 m-20 -77.87 142.92 38.18 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.052 -1.03 . . . . 0.0 109.306 -179.913 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 84.5 p -89.87 174.07 7.89 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.538 -0.726 . . . . 0.0 110.556 -178.72 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 63' ' ' SER . . . 70.01 31.42 3.33 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.82 -0.55 . . . . 0.0 110.181 179.592 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -65.18 -24.06 67.27 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.207 -0.933 . . . . 0.0 109.005 179.303 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.941 179.962 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.687 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.539 0 C3'-C2'-C1' 106.821 2.944 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 O4'-C1'-N19 110.791 3.738 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.69 1 O4'-C1'-N19 111.738 4.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.079 0 O4'-C1'-N19 110.706 3.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.718 4.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 1 O4'-C1'-N19 111.233 4.291 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.39 1 O4'-C1'-N19 111.681 4.852 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.279 1 O4'-C1'-N19 111.19 4.238 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 0 O4'-C1'-N19 110.829 3.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.776 1 O4'-C1'-N19 111.002 4.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.666 0 O4'-C1'-N19 110.442 3.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.461 0 O4'-C1'-N19 110.659 3.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.563 0 O4'-C1'-N19 110.824 3.78 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . 0.509 HO5' ' H8 ' ' C' ' 114' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.523 1 O4'-C1'-N19 111.167 4.209 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.466 0 O4'-C1'-N19 110.956 3.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.812 0 O4'-C1'-N19 110.906 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.969 0 O4'-C1'-N19 110.94 3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.185 1 O4'-C1'-N19 111.151 4.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.23 0 O4'-C1'-N19 110.843 3.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.522 ' N6 ' ' N6 ' ' B' ' 106' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.53 2.415 1 O4'-C1'-N19 111.318 4.398 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.492 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.494 0 O4'-C1'-N19 110.808 3.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.202 4.253 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.529 3.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.478 0 O4'-C1'-N19 110.995 3.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 1' ' ' MET . 13.1 tmm? . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -80.22 -98.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.244 -0.91 . . . . 0.0 108.82 -179.911 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -70.02 -36.35 75.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.106 -0.996 . . . . 0.0 109.304 179.395 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.48 -42.19 0.1 OUTLIER Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 162.95 37.81 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.156 -1.203 . . . . 0.0 109.635 -179.503 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 7' ' ' ASN . 78.5 mt-30 -132.09 141.54 49.21 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.479 -0.763 . . . . 0.0 109.529 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.532 ' CG ' ' H ' ' A' ' 8' ' ' GLY . 58.7 t30 39.98 -154.48 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.715 -0.616 . . . . 0.0 110.41 179.461 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' A' ' 7' ' ' ASN . . . 52.63 83.28 0.04 OUTLIER Glycine 0 N--CA 1.491 2.32 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 179.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -40.91 147.76 0.25 Allowed 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.382 2.055 . . . . 0.0 112.308 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 60.4 m -64.16 98.04 0.21 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.969 -179.389 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -127.62 136.37 51.55 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 179.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.1 t -67.72 108.2 2.85 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.142 -0.974 . . . . 0.0 109.693 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.6 p -64.36 -9.9 21.02 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.538 -0.726 . . . . 0.0 110.603 -179.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.515 ' ND2' HD22 ' A' ' 32' ' ' LEU . 94.2 m-20 -100.0 -30.68 11.85 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.858 -1.151 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.477 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 7.7 p -141.29 11.15 2.13 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.679 -1.263 . . . . 0.0 112.295 -177.813 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 58.84 4.19 0.38 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.884 -1.135 . . . . 0.0 112.533 177.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.477 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 19.6 m -60.01 130.3 46.05 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.261 -1.524 . . . . 0.0 109.718 -179.356 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -104.74 -12.77 16.17 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.515 -0.741 . . . . 0.0 110.52 -179.269 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.6 m -111.3 129.94 55.83 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 -179.24 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -164.09 148.68 8.52 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.219 -0.926 . . . . 0.0 109.808 -179.707 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.62 -20.64 40.5 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 122.182 1.921 . . . . 0.0 110.555 178.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.96 145.07 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.584 -0.698 . . . . 0.0 109.64 -179.807 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -91.61 125.7 36.44 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.787 0.803 . . . . 0.0 110.715 -179.098 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.92 167.91 10.2 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 178.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -145.27 170.05 17.04 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.146 -0.971 . . . . 0.0 109.648 179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.613 ' O ' ' N ' ' A' ' 28' ' ' GLU . 3.7 t-20 -118.53 146.02 38.77 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_exo -42.79 -2.55 0.01 OUTLIER 'Trans proline' 0 N--CA 1.496 1.668 0 C-N-CA 122.571 2.18 . . . . 0.0 114.232 179.483 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.613 ' N ' ' O ' ' A' ' 26' ' ' ASN . 77.5 mm-40 -99.81 -2.91 33.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.743 -1.223 . . . . 0.0 108.675 178.556 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.94 9.73 76.86 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 110.589 -1.004 . . . . 0.0 110.589 179.618 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.8 141.96 44.81 Favored Pre-proline 0 N--CA 1.491 1.619 0 O-C-N 120.872 -1.37 . . . . 0.0 108.885 179.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -78.63 143.56 19.04 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.233 1.955 . . . . 0.0 112.741 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 HD22 ' ND2' ' A' ' 14' ' ' ASN . 81.0 mt -140.05 150.0 43.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.896 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 20.4 p -74.82 -165.68 0.39 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.112 -0.992 . . . . 0.0 108.447 178.641 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 35' ' ' ALA . 42.0 p-10 -75.03 -48.31 24.65 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.745 -1.222 . . . . 0.0 111.67 -178.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' N ' ' OD1' ' A' ' 34' ' ' ASN . . . -64.59 -50.52 66.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.943 -1.098 . . . . 0.0 112.58 -178.065 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.2 m -59.06 -43.01 91.67 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 120.464 -1.397 . . . . 0.0 110.199 -178.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.47 78.15 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 HD22 ' H62' ' B' ' 106' ' ' ' DA' . 79.5 mt -69.18 -48.65 61.58 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.465 -1.021 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.556 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 38.1 t80 -68.82 -51.95 35.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.896 -1.127 . . . . 0.0 111.709 -178.241 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.18 -50.76 72.4 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.493 -0.754 . . . . 0.0 111.28 -177.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -63.07 -41.01 99.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.742 -1.224 . . . . 0.0 109.52 -179.159 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.4 mt -69.95 -40.09 75.66 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.133 -0.98 . . . . 0.0 110.492 -179.592 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 67.9 m80 -83.98 -38.74 20.58 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.83 -1.169 . . . . 0.0 110.755 -178.439 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.52 14.88 72.59 Favored Glycine 0 N--CA 1.493 2.467 0 O-C-N 120.531 -1.356 . . . . 0.0 111.126 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.6 m -139.27 177.31 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.013 -1.287 . . . . 0.0 110.137 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.6 m -50.36 145.03 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.421 -0.799 . . . . 0.0 109.187 -179.975 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 HH11 HD23 ' A' ' 49' ' ' LEU . 36.6 ttt-85 -119.02 115.8 34.48 Favored Pre-proline 0 N--CA 1.495 1.789 0 O-C-N 121.537 -0.727 . . . . 0.0 109.948 -179.157 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -49.79 90.89 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 121.4 1.4 . . . . 0.0 110.568 176.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 14' ' ' ASN . 61.1 mt -59.21 -14.77 11.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.133 -0.979 . . . . 0.0 109.783 -178.772 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.4 p -60.47 -10.81 5.44 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.144 -0.972 . . . . 0.0 108.989 179.518 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.1 mt -78.1 -37.37 46.54 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.474 -0.766 . . . . 0.0 109.389 179.78 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -46.38 151.35 0.54 Allowed 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.955 0.883 . . . . 0.0 110.617 -178.608 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -148.62 166.22 28.96 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.22 -0.37 49.98 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.195 -0.941 . . . . 0.0 108.928 179.543 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.2 t -117.96 137.99 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.1 mt -119.62 131.47 72.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.43 136.34 36.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.159 -0.963 . . . . 0.0 108.567 179.728 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -88.5 128.21 35.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.362 -0.836 . . . . 0.0 110.174 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' NH2' ' N3 ' ' C' ' 120' ' ' ' DA' . 44.2 mtm180 -95.67 178.58 5.41 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.039 -1.038 . . . . 0.0 108.42 179.188 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -75.07 -176.09 2.86 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.319 -0.863 . . . . 0.0 110.816 -178.101 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -145.88 159.71 42.83 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 179.767 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -153.79 118.4 4.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.318 -0.864 . . . . 0.0 109.332 179.678 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.1 p -148.91 164.67 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.163 -0.961 . . . . 0.0 109.69 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.81 147.26 37.3 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.2 -0.938 . . . . 0.0 110.008 -179.566 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -103.12 119.97 39.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.414 -0.804 . . . . 0.0 109.587 179.952 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.025 -1.047 . . . . 0.0 109.569 179.797 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 101' ' ' ' DC' . . . . . 0.734 ' H6 ' " O5'" ' B' ' 101' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.628 0 C3'-C2'-C1' 107.015 3.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.747 0 O4'-C1'-N19 110.747 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.037 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.526 0 O4'-C1'-N19 110.321 3.151 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 105' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 1 O4'-C1'-N19 111.825 5.031 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 106' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.395 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 O4'-C1'-N19 111.171 4.214 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 0 O4'-C1'-N19 110.593 3.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.895 0 O4'-C1'-N19 110.434 3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.332 0 O4'-C1'-N19 110.99 3.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.418 1 O4'-C1'-N19 111.43 4.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 112' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.841 0 O4'-C1'-N19 110.801 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.511 1 O4'-C1'-N19 111.089 4.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.0 1 O4'-C1'-N19 111.831 5.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 115' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.792 0 O4'-C1'-N19 110.8 3.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.618 0 O4'-C1'-N19 110.76 3.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 118' ' ' ' DC' . . . . . 0.558 ' P ' HH21 ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.537 3.296 0 O4'-C1'-N19 110.382 3.228 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.458 ' OP2' ' NH1' ' A' ' 47' ' ' ARG . . . . . . . . 0 C5'--C4' 1.535 3.043 1 O4'-C1'-N19 111.174 4.218 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.409 ' OP2' ' OD1' ' A' ' 34' ' ' ASN . . . . . . . . 0 C5'--C4' 1.532 2.621 1 O4'-C1'-N19 111.709 4.886 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' C' C ' 121' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.136 1 O4'-C1'-N19 112.21 5.512 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 122' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 1.691 1 O4'-C1'-N19 111.297 4.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.46 3.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.536 0 O4'-C1'-N19 110.515 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.838 0 O4'-C1'-N19 110.771 3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' C' C ' 126' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 0 O4'-C1'-N19 110.369 3.211 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.487 1.415 0 N-CA-C 108.501 -0.925 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -67.38 -39.76 85.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.109 -0.994 . . . . 0.0 109.776 178.962 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -133.48 -11.08 2.8 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 6' ' ' GLN . . . -76.57 -38.0 33.76 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 108.86 -1.696 . . . . 0.0 108.86 179.554 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 86.6 tt0 36.52 -94.58 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.978 -0.719 . . . . 0.0 110.976 -179.598 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 4' ' ' GLY . 93.9 mt-30 -74.14 128.42 35.49 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.804 -1.185 . . . . 0.0 109.625 -179.828 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 8' ' ' GLY . 50.2 p30 -124.01 -20.55 5.32 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 179.591 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 7' ' ' ASN . . . -77.64 124.45 6.84 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.642 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.3 12.26 2.38 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.782 1.655 . . . . 0.0 112.102 -179.611 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 95.4 m -61.31 103.42 0.3 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 -179.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -128.57 136.96 51.45 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -179.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -68.52 110.0 3.99 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.914 -1.116 . . . . 0.0 109.782 -179.569 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -66.03 -11.42 48.09 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.469 -0.769 . . . . 0.0 110.181 -179.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.579 ' O ' HD13 ' A' ' 49' ' ' LEU . 2.3 m120 -97.43 -31.11 12.53 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.617 -1.302 . . . . 0.0 111.576 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' OG1' ' A' ' 17' ' ' THR . 13.2 p -139.59 9.52 2.44 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.677 -1.264 . . . . 0.0 111.533 -178.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 60.39 4.53 0.71 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.048 -1.032 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.429 ' OG1' ' SG ' ' A' ' 15' ' ' CYS . 8.1 m -60.15 128.08 35.01 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.252 -1.53 . . . . 0.0 109.705 -179.234 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.668 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 4.7 pm0 -104.96 -8.87 18.29 Favored 'General case' 0 N--CA 1.497 1.887 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.815 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.2 m -108.9 122.29 46.91 Favored 'General case' 0 N--CA 1.493 1.709 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.657 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.6 t -165.02 146.77 6.51 Favored Pre-proline 0 N--CA 1.489 1.513 0 O-C-N 120.967 -1.083 . . . . 0.0 110.307 179.736 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.76 -21.7 28.47 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.308 2.005 . . . . 0.0 112.093 179.094 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.46 143.36 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.287 -0.883 . . . . 0.0 109.526 -179.659 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -94.19 130.02 40.58 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.828 0.823 . . . . 0.0 110.987 -179.096 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.5 mmt180 -105.2 169.76 8.26 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 179.158 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 ptt180 -144.68 171.65 14.1 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.439 -0.788 . . . . 0.0 109.295 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.585 ' O ' ' N ' ' A' ' 28' ' ' GLU . 8.9 t30 -131.74 145.18 56.41 Favored Pre-proline 0 N--CA 1.496 1.856 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -178.424 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -42.49 -2.99 0.01 OUTLIER 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 122.981 2.454 . . . . 0.0 114.749 179.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' A' ' 26' ' ' ASN . 97.6 mt-10 -98.69 -13.83 20.09 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.661 -1.274 . . . . 0.0 108.355 179.044 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' A' ' 30' ' ' GLN . . . 92.18 11.05 60.34 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 179.197 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.503 ' N ' ' NE2' ' A' ' 30' ' ' GLN . 0.5 OUTLIER -87.52 114.51 59.14 Favored Pre-proline 0 N--CA 1.497 1.904 0 O-C-N 120.901 -1.353 . . . . 0.0 109.062 179.023 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -56.02 147.32 64.5 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.365 1.377 . . . . 0.0 111.975 179.304 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.7 mt -140.05 148.61 42.04 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.849 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.5 p -72.79 -170.18 0.67 Allowed 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 178.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.789 HD22 ' H ' ' A' ' 34' ' ' ASN . 0.0 OUTLIER -72.47 -48.27 42.19 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.123 -0.986 . . . . 0.0 111.159 -178.546 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.64 ' H ' ' ND2' ' A' ' 34' ' ' ASN . . . -60.91 -52.59 64.41 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.184 -0.947 . . . . 0.0 112.541 -178.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 86.4 m -58.27 -40.93 83.17 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.54 -1.35 . . . . 0.0 110.592 -178.096 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -62.89 -40.37 99.19 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 121.214 -0.929 . . . . 0.0 111.355 -179.179 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.72 -54.87 18.41 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.134 -1.215 . . . . 0.0 112.284 -178.229 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.679 ' CE2' ' CE1' ' A' ' 43' ' ' HIS . 34.1 t80 -76.82 -40.56 47.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.091 -1.006 . . . . 0.0 112.857 -177.99 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -60.07 -50.65 72.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.078 -1.014 . . . . 0.0 110.581 -177.307 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -62.42 -40.95 98.2 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.829 -1.17 . . . . 0.0 110.153 -179.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.3 mt -69.05 -38.03 78.89 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.098 -1.001 . . . . 0.0 111.514 -178.249 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.679 ' CE1' ' CE2' ' A' ' 39' ' ' PHE . 41.3 m80 -93.25 -28.17 16.41 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.642 -1.286 . . . . 0.0 112.117 -177.569 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.19 15.1 71.97 Favored Glycine 0 N--CA 1.489 2.202 0 O-C-N 120.19 -1.569 . . . . 0.0 111.489 179.224 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 m -140.81 148.72 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 120.637 -1.508 . . . . 0.0 110.394 -179.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.7 m -48.36 162.75 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 39' ' ' PHE . 18.0 ttt180 -142.8 133.03 12.26 Favored Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.154 -178.775 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -37.73 92.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 122.113 1.875 . . . . 0.0 111.637 178.26 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 14' ' ' ASN . 70.8 mt -58.09 -14.74 7.34 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.297 -0.877 . . . . 0.0 108.793 -179.386 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -62.0 -8.27 5.02 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 110.112 -179.793 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.6 mt -75.64 -41.59 53.74 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.924 -1.11 . . . . 0.0 109.324 -179.931 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -43.31 160.87 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 121.713 0.768 . . . . 0.0 110.851 -178.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 t -148.84 168.32 23.31 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.72 -0.613 . . . . 0.0 109.404 178.726 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -92.49 1.35 57.3 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.005 -1.06 . . . . 0.0 110.048 -179.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.7 p -120.45 140.2 45.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.037 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.6 mt -112.45 135.79 50.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.464 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -78.84 124.93 28.72 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 -179.483 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -86.44 122.23 30.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.438 -0.789 . . . . 0.0 111.1 -178.804 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -97.16 174.99 6.46 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.153 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -75.16 -168.06 0.72 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.075 -1.016 . . . . 0.0 110.872 -178.824 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -152.56 159.88 43.25 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.195 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -94.12 131.17 39.92 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.316 -0.865 . . . . 0.0 109.913 -179.918 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -132.41 119.11 20.22 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.297 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -177.82 -65.71 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.392 -0.818 . . . . 0.0 109.112 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.1 m120 50.39 46.72 24.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.335 -0.853 . . . . 0.0 109.752 179.532 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.317 179.279 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_