data_1f0e_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 1f0e _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.262 0.553 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 2.3 p90 -143.03 165.21 27.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 0.0 110.145 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -164.98 66.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 110.347 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.474 ' O ' HD11 ' A' ' 8' ' ' ILE . 2.8 pp -65.73 -22.64 66.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.105 -0.997 . . . . 0.0 110.492 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -69.9 -7.46 40.47 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.352 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.462 ' HG3' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -111.48 -15.34 13.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.467 -0.771 . . . . 0.0 109.505 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 ttpt -63.6 -36.05 82.53 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.865 0.84 . . . . 0.0 108.962 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.474 HD11 ' O ' ' A' ' 4' ' ' LEU . 2.5 mp -58.48 107.93 1.13 Allowed Pre-proline 0 C--N 1.297 -1.699 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 48.4 Cg_endo -80.99 -36.55 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 O-C-N 123.745 1.392 . . . . 0.0 109.948 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -20.44 18.96 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.378 -0.826 . . . . 0.0 110.22 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -71.6 -52.68 16.78 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.32 -0.862 . . . . 0.0 109.761 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -16.39 64.15 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.412 ' ND1' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -71.22 -26.51 62.96 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.37 -26.69 24.67 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.777 0.798 . . . . 0.0 108.856 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.43 77.4 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.913 0.863 . . . . 0.0 109.246 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 15.7 ptpt -77.71 -22.65 50.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.607 0.718 . . . . 0.0 109.618 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 14' ' ' SER . 22.6 ttmt -85.61 7.49 23.02 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.629 -0.67 . . . . 0.0 109.461 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -120.96 58.61 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.767 . . . . 0.0 109.84 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -95.12 -168.22 1.76 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.943 -1.098 . . . . 0.0 110.275 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.71 -76.34 0.56 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -57.96 -16.2 11.5 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.665 0.745 . . . . 0.0 109.81 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.456 ' HB2' ' HB3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -74.3 -7.25 52.16 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.414 178.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.53 13.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.499 -0.75 . . . . 0.0 110.252 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -68.07 -10.45 53.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.476 HG12 ' HG3' ' A' ' 7' ' ' LYS . 8.0 mm -118.75 144.63 35.94 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.634 -0.667 . . . . 0.0 109.641 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' HG21 ' A' ' 8' ' ' ILE . 47.1 Cg_endo -73.33 52.4 2.35 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 123.926 1.487 . . . . 0.0 110.467 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -82.21 -0.6 45.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.974 . . . . 0.0 109.861 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' A' ' 12' ' ' LEU . 44.5 p90 -83.23 -40.15 20.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.901 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.604 ' HB3' ' CE2' ' A' ' 11' ' ' PHE . 4.1 pp -83.09 -21.83 33.6 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.692 0.758 . . . . 0.0 109.621 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.452 ' N ' HD13 ' A' ' 12' ' ' LEU . 58.8 t-80 -70.42 -42.27 71.82 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.866 0.841 . . . . 0.0 109.365 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -83.23 -15.6 49.74 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.738 0.78 . . . . 0.0 109.26 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -54.92 38.15 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.859 0.837 . . . . 0.0 109.474 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 16' ' ' LYS . 10.5 tppt? -75.23 -13.67 60.46 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.575 0.702 . . . . 0.0 109.804 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -85.79 21.38 1.9 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.573 -0.705 . . . . 0.0 110.245 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.27 64.32 1.38 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.913 . . . . 0.0 110.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.994 0.426 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -152.16 -45.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 111.079 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -140.64 51.4 1.65 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.852 -1.155 . . . . 0.0 111.552 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.453 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -66.27 -14.42 61.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.854 -1.154 . . . . 0.0 109.46 179.228 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.39 -5.2 54.1 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.633 -0.667 . . . . 0.0 109.398 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -104.19 -19.62 14.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.595 -0.69 . . . . 0.0 109.876 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -103.36 12.02 35.89 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.222 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 12.0 tt -111.02 110.02 56.93 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.32 -0.862 . . . . 0.0 110.089 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.61 -20.33 6.87 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 O-C-N 123.768 1.404 . . . . 0.0 111.736 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -16.64 59.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 111.195 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -80.18 -35.99 35.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.884 . . . . 0.0 110.03 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -13.91 46.34 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.593 -0.692 . . . . 0.0 109.927 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -26.38 39.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.509 -0.744 . . . . 0.0 109.533 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 -18.43 32.94 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.401 0.619 . . . . 0.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.65 35.16 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.392 -0.818 . . . . 0.0 109.878 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -86.19 -13.27 47.45 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.614 0.721 . . . . 0.0 109.719 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -65.15 1.04 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.866 0.841 . . . . 0.0 110.319 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -74.25 -60.15 2.4 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.792 -0.567 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.268 0.556 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.419 ' O ' ' HD2' ' A' ' 3' ' ' LYS . 19.7 t-105 -165.74 -130.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 0.0 110.099 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 2' ' ' TRP . 3.7 tptt -155.26 69.56 0.71 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.445 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.5 mt -54.73 -18.31 4.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.878 . . . . 0.0 110.612 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.81 -7.75 47.48 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.599 -0.841 . . . . 0.0 109.235 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -111.94 -11.05 13.92 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.539 0.685 . . . . 0.0 109.765 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -20.28 13.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.45 -0.781 . . . . 0.0 109.334 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 13.1 tt -60.62 147.51 83.51 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.547 ' HD2' ' CG1' ' A' ' 8' ' ' ILE . 45.1 Cg_endo -71.31 -0.87 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.799 1.42 . . . . 0.0 111.148 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -79.86 -14.68 58.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.938 -1.101 . . . . 0.0 110.271 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.581 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.72 -44.7 92.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.581 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 1.5 pp -79.93 -24.05 41.31 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.629 0.728 . . . . 0.0 109.91 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 1.7 t60 -52.54 -64.03 0.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.802 0.81 . . . . 0.0 109.735 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -14.45 8.21 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.359 0.6 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 12' ' ' LEU . . . -62.51 -37.67 86.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -0.855 . . . . 0.0 110.047 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.1 -24.23 26.36 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.66 0.743 . . . . 0.0 110.159 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 3.0 tmmm? -67.28 -30.83 70.8 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.58 0.705 . . . . 0.0 110.245 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.85 48.97 2.27 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.51 -0.744 . . . . 0.0 110.359 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 1.8 t90 -81.86 120.1 24.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.196 -0.94 . . . . 0.0 110.805 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -143.19 67.24 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.494 -0.754 . . . . 0.0 109.19 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 5' ' ' PHE . 4.1 pp -65.38 -22.12 66.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.541 -0.724 . . . . 0.0 111.318 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.482 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -71.47 -7.99 50.99 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.593 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -118.63 -12.13 9.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.478 -0.763 . . . . 0.0 109.754 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -96.42 -5.98 38.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.504 -0.748 . . . . 0.0 109.86 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 7' ' ' LYS . 39.4 mm -124.46 66.49 45.15 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 110.197 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -76.82 48.17 2.38 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 123.811 1.427 . . . . 0.0 110.536 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 7.7 tttp -73.74 -4.01 31.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.004 . . . . 0.0 109.803 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -69.92 -55.11 10.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.313 -0.867 . . . . 0.0 109.69 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.35 -26.71 26.33 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.511 0.672 . . . . 0.0 110.154 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -41.69 78.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.925 0.869 . . . . 0.0 109.587 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -82.36 -5.79 58.85 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.424 0.631 . . . . 0.0 109.57 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.29 -49.86 21.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.09 57.24 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 mmtt -85.5 -1.11 56.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.561 -0.712 . . . . 0.0 110.126 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 27.6 t80 -141.95 32.42 1.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 109.894 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tptm . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.263 0.554 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.38 16.13 26.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -151.74 4.54 0.42 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 0.0 111.744 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.4 mt -84.82 -13.28 51.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.736 -1.228 . . . . 0.0 110.187 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -78.45 -5.21 51.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 109.384 178.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.482 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -119.33 -8.26 10.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.52 -0.738 . . . . 0.0 110.11 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 4.6 tppt? -106.16 -17.79 14.21 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 110.09 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.6 mm -124.11 73.32 57.04 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.919 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.76 81.03 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 124.062 1.559 . . . . 0.0 111.231 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -36.83 20.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.049 -1.032 . . . . 0.0 109.505 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.42 -35.0 74.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.721 0.772 . . . . 0.0 109.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.75 -12.23 54.15 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.625 0.726 . . . . 0.0 109.387 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -65.22 -37.63 87.88 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.635 0.731 . . . . 0.0 109.984 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -13.43 59.39 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.573 0.701 . . . . 0.0 109.727 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.62 62.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.506 -0.746 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HG3' ' HG2' ' A' ' 17' ' ' LYS . 4.9 ptmt -85.51 -22.59 28.1 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.537 0.684 . . . . 0.0 110.183 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' HG2' ' HG3' ' A' ' 16' ' ' LYS . 3.9 mmtt -85.93 24.46 1.28 Allowed 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.655 -0.653 . . . . 0.0 110.875 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -145.05 45.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 110.115 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.921 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.22 0.534 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.574 ' CE2' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -137.14 -163.46 1.43 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.277 -0.889 . . . . 0.0 110.061 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.13 9.82 1.91 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.574 HD21 ' CE2' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -55.79 -19.34 11.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.118 -0.989 . . . . 0.0 109.425 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.449 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 6.4 t80 -68.88 -6.24 26.0 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.471 0.653 . . . . 0.0 109.727 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.11 -26.43 9.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 0.0 109.817 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -76.7 -11.62 59.87 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.552 0.692 . . . . 0.0 109.944 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 13' ' ' HIS . 2.7 tt -49.1 136.12 14.89 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.561 -0.712 . . . . 0.0 110.301 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 50.6 Cg_endo -76.02 149.81 33.11 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.908 1.478 . . . . 0.0 110.237 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -53.24 -28.12 25.7 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -61.87 -50.31 72.73 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.015 0.912 . . . . 0.0 109.173 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -13.93 46.92 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.551 0.691 . . . . 0.0 109.51 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.488 ' HA ' ' CD1' ' A' ' 8' ' ' ILE . 3.1 t60 -70.27 -58.15 4.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.708 0.766 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -60.42 -21.27 62.06 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.614 0.721 . . . . 0.0 109.116 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.96 59.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 5.4 ttpt -84.21 -39.32 19.47 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.86 0.838 . . . . 0.0 109.429 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -85.73 -11.7 52.96 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.529 0.68 . . . . 0.0 109.872 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 5.0 t80 -123.47 -62.24 1.33 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 0.0 110.155 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 6.5 p90 -134.79 -172.38 3.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.266 -0.896 . . . . 0.0 110.42 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 83.42 0.49 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.393 -0.817 . . . . 0.0 109.6 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.7 pp -53.84 -17.88 2.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.421 -0.8 . . . . 0.0 110.302 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.51 -3.92 23.86 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.644 -0.66 . . . . 0.0 110.405 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.425 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 3.8 ptmm? -139.81 -0.88 1.67 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.0 111.603 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 11.6 pttt -119.68 3.37 11.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.945 -1.097 . . . . 0.0 109.958 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.9 mm -113.93 86.76 11.61 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.421 -0.8 . . . . 0.0 108.964 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.99 131.37 18.04 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.105 1.582 . . . . 0.0 111.646 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -14.99 45.38 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.611 0.72 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.99 -42.48 80.69 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.593 0.711 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 ' O ' ' CD ' ' A' ' 16' ' ' LYS . 2.5 mp -85.65 -26.17 26.15 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.6 -0.688 . . . . 0.0 110.927 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.8 t-160 -57.62 -58.41 8.44 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.362 -0.836 . . . . 0.0 110.196 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.1 p -62.83 -19.47 64.13 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.522 0.677 . . . . 0.0 110.195 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.0 -58.24 9.53 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.75 0.786 . . . . 0.0 109.777 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.14 -4.49 58.43 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.81 179.283 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -85.59 -10.33 56.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.281 -0.887 . . . . 0.0 109.856 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -5.17 57.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.452 -0.78 . . . . 0.0 110.122 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.195 0.521 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -136.37 -8.34 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.255 -0.903 . . . . 0.0 111.315 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -109.88 40.4 1.92 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.787 -1.195 . . . . 0.0 110.221 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -64.65 -14.39 57.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.168 -0.958 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.411 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 10.2 t80 -74.54 -5.57 43.56 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.475 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 6.5 mtmt -113.33 -11.11 13.22 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.743 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -117.48 12.4 14.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.373 -0.83 . . . . 0.0 110.63 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.553 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 14.6 mm -141.22 62.74 16.6 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.189 -0.944 . . . . 0.0 109.872 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 54.9 Cg_endo -81.79 67.41 8.29 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.932 1.491 . . . . 0.0 110.881 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -91.37 -42.27 10.43 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.983 -1.073 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.62 -25.68 62.94 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.653 0.739 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tp -87.07 -46.87 9.4 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.848 0.832 . . . . 0.0 110.361 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -47.54 -25.95 1.27 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.99 -47.12 9.88 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.363 -0.836 . . . . 0.0 110.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.48 60.06 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.719 0.771 . . . . 0.0 109.535 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -86.22 -43.7 12.76 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.611 0.719 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.72 -27.38 25.32 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.562 -0.711 . . . . 0.0 111.087 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -165.62 63.38 0.11 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.209 0.528 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.512 ' CD1' ' HD2' ' A' ' 3' ' ' LYS . 5.8 t90 -152.67 -123.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.728 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HD2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -122.74 33.41 5.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.838 -1.164 . . . . 0.0 109.488 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -76.83 -29.88 56.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.477 -0.764 . . . . 0.0 110.009 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.96 -10.51 29.81 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.479 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -27.78 6.07 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.866 0.841 . . . . 0.0 109.658 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 5.4 ttpt -95.51 -2.75 47.97 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.238 0.542 . . . . 0.0 109.63 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER -51.88 106.03 0.6 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.47 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.4 Cg_endo -84.65 69.2 6.05 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.009 1.531 . . . . 0.0 110.363 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -23.56 23.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.466 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -33.85 62.76 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.84 0.829 . . . . 0.0 108.987 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.54 -23.82 39.72 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.053 0.93 . . . . 0.0 108.761 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -70.37 -24.54 62.98 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.691 0.758 . . . . 0.0 109.309 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.12 -15.24 41.75 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.589 0.709 . . . . 0.0 109.938 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.54 55.26 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.645 0.736 . . . . 0.0 109.896 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -19.18 44.04 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.723 0.773 . . . . 0.0 109.449 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -85.66 0.63 52.13 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.278 0.561 . . . . 0.0 110.129 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.4 -71.52 0.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.843 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.507 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 p90 -154.14 161.94 41.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.139 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.78 -35.53 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.52 -19.05 55.87 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.431 -0.793 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -76.06 -2.85 32.75 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.523 -0.735 . . . . 0.0 109.446 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.55 3.23 11.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 110.122 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 22.1 ttpt -108.8 1.29 20.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.463 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.2 110.15 36.41 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.0 110.044 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 51.2 Cg_endo -83.02 -9.06 10.82 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.757 1.399 . . . . 0.0 110.635 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 mtpp -80.63 -8.04 59.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.199 -0.938 . . . . 0.0 110.528 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.523 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . 14.0 t80 -68.68 -56.05 9.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -5.26 59.3 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.376 0.608 . . . . 0.0 109.914 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.65 -17.5 55.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.39 -0.819 . . . . 0.0 109.894 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -85.38 -24.08 27.71 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.473 -0.767 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.76 -24.46 41.51 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.723 0.773 . . . . 0.0 109.478 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -85.58 -19.96 30.28 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.619 0.723 . . . . 0.0 109.562 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -85.56 -92.37 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.671 -0.643 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.41 45.78 2.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.469 -0.769 . . . . 0.0 110.189 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.326 0.584 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -165.49 -32.0 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 110.547 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -96.07 45.87 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.124 -0.985 . . . . 0.0 110.981 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 1.1 pp -61.51 -21.58 64.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.904 -1.122 . . . . 0.0 109.078 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 1.1 t80 -75.78 -5.61 46.63 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.549 0.69 . . . . 0.0 109.236 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -122.86 -15.16 7.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.539 -0.725 . . . . 0.0 110.742 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' CD ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.51 -15.92 62.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.944 . . . . 0.0 109.398 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.512 HG22 ' CG ' ' A' ' 10' ' ' LYS . 67.8 mt -103.01 141.21 22.02 Favored Pre-proline 0 C--N 1.299 -1.613 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' HD2' HG21 ' A' ' 8' ' ' ILE . 42.3 Cg_endo -68.54 3.28 2.29 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.773 1.407 . . . . 0.0 111.581 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' CG ' HG22 ' A' ' 8' ' ' ILE . 64.3 mmtt -70.08 -12.45 61.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.716 -1.24 . . . . 0.0 110.159 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.3 p90 -72.45 -24.29 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.045 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 1.1 tt -84.73 -37.44 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.673 0.749 . . . . 0.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -73.27 -27.03 61.33 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.864 0.84 . . . . 0.0 109.057 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 p -85.68 -21.44 28.34 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.586 0.707 . . . . 0.0 109.721 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.27 -43.73 66.63 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.415 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -13.1 60.58 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.609 0.719 . . . . 0.0 109.387 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -85.73 -6.7 59.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.572 -0.705 . . . . 0.0 110.027 179.473 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -86.49 -21.52 26.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.423 -0.798 . . . . 0.0 110.194 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.23 0.538 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -144.22 -143.49 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.923 . . . . 0.0 110.179 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 6.2 mmtt -81.79 -10.37 59.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 0.0 110.19 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.516 HD22 ' CG1' ' A' ' 8' ' ' ILE . 7.0 mt -85.03 -27.21 26.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.276 -0.89 . . . . 0.0 109.735 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -2.18 27.66 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.515 0.674 . . . . 0.0 109.486 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -21.43 5.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.48 -0.762 . . . . 0.0 110.502 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' CD ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -104.84 8.29 34.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.363 -0.836 . . . . 0.0 110.551 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.516 ' CG1' HD22 ' A' ' 4' ' ' LEU . 50.5 mm -117.94 90.01 35.73 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 110.124 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 52.5 Cg_endo -79.23 44.48 1.7 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 123.896 1.472 . . . . 0.0 110.459 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.76 -1.7 26.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.036 -1.04 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -71.82 -51.22 23.61 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.429 -0.794 . . . . 0.0 109.464 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -25.68 25.93 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.662 0.744 . . . . 0.0 109.801 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -61.98 -31.76 72.15 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.78 0.8 . . . . 0.0 109.719 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -19.42 55.74 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.577 0.704 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 -17.28 54.92 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.643 0.735 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -31.73 22.05 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.634 0.73 . . . . 0.0 110.062 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.6 -0.35 52.96 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.684 -0.635 . . . . 0.0 110.575 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.2 t80 -102.91 51.99 0.79 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.234 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -165.36 101.51 0.72 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.23 -0.919 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.59 13.19 0.34 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.009 -1.057 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.2 pp -60.68 -17.51 48.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.737 -1.227 . . . . 0.0 109.264 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.463 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.08 -16.73 14.09 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.678 0.751 . . . . 0.0 109.631 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -113.37 -4.68 13.61 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.187 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -124.88 6.53 8.04 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 2.1 mt -49.52 -60.78 4.33 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.509 -0.744 . . . . 0.0 111.21 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 40.4 Cg_endo -65.76 -16.47 53.32 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.825 1.434 . . . . 0.0 111.524 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -83.12 -24.37 32.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.888 -1.133 . . . . 0.0 109.812 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.7 t80 -73.59 -29.84 62.65 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 ' HA ' ' HB1' ' A' ' 15' ' ' ALA . 17.7 tp -84.18 -21.38 31.3 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.862 0.839 . . . . 0.0 109.265 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.98 95.96 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.886 0.851 . . . . 0.0 109.279 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -85.91 -14.29 45.23 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.4 0.619 . . . . 0.0 110.347 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 12' ' ' LEU . . . -75.28 -27.11 59.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.358 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -36.18 18.69 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.737 0.779 . . . . 0.0 109.916 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -84.96 2.47 42.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.807 -0.558 . . . . 0.0 110.094 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -140.1 10.21 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.304 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' CD1' HD13 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -91.44 151.89 20.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.4 mttp -88.62 -12.1 43.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.965 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 HD13 ' CD1' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -76.36 -14.77 60.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.447 -0.783 . . . . 0.0 109.56 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -12.36 41.03 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.634 0.731 . . . . 0.0 109.79 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -115.76 -19.4 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.561 0.696 . . . . 0.0 109.803 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.53 -9.09 56.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.542 -0.724 . . . . 0.0 109.703 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.9 mt -108.91 127.12 27.9 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 110.101 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 11' ' ' PHE . 49.6 Cg_endo -78.52 84.95 1.92 Allowed 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.013 1.533 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -60.04 -23.7 63.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.279 -0.888 . . . . 0.0 109.654 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 9' ' ' PRO . 21.8 p90 -70.25 -21.54 62.97 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.642 0.734 . . . . 0.0 109.691 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.79 -17.98 34.25 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.586 -0.696 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -75.09 -45.76 39.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.723 0.773 . . . . 0.0 109.553 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -17.63 61.18 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.679 0.752 . . . . 0.0 109.342 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -12.16 58.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 -42.07 15.2 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.757 0.789 . . . . 0.0 109.227 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -14.16 46.49 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.628 0.727 . . . . 0.0 109.833 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -108.85 -53.11 2.68 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.539 -0.726 . . . . 0.0 110.158 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 mttm . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.098 0.475 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -126.15 13.39 7.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.07 63.59 1.56 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.474 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.52 -24.75 33.96 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.943 0.878 . . . . 0.0 108.991 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -4.91 51.16 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.52 0.676 . . . . 0.0 109.252 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -119.49 -11.78 9.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.564 -0.71 . . . . 0.0 110.031 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 5.4 tttt -106.34 1.34 25.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 0.0 109.864 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 6.5 tp -68.41 131.67 91.65 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.764 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.24 111.77 3.39 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 O-C-N 124.004 1.528 . . . . 0.0 110.156 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -82.64 9.95 8.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.939 -1.101 . . . . 0.0 110.402 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -72.19 -70.78 0.32 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.141 0.972 . . . . 0.0 109.325 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 4.6 pp -85.46 -7.28 59.0 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.254 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 3.7 t-80 -74.8 -33.77 62.27 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -18.74 65.48 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.742 0.782 . . . . 0.0 109.311 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.74 48.56 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.69 0.757 . . . . 0.0 109.462 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -83.44 -18.86 37.22 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.735 0.779 . . . . 0.0 109.57 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 6.8 tttt -85.64 -12.97 50.04 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.591 -0.693 . . . . 0.0 109.933 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -46.3 -28.24 1.25 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.493 -0.754 . . . . 0.0 110.278 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.144 0.497 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.407 ' C ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -88.86 -177.65 5.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.206 -0.934 . . . . 0.0 110.074 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -127.41 -52.14 1.38 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.741 -179.514 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 0.6 OUTLIER -51.35 -23.5 3.76 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.548 -0.72 . . . . 0.0 110.407 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.06 -3.4 29.17 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.541 -0.724 . . . . 0.0 109.612 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -3.57 12.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.535 -0.728 . . . . 0.0 110.748 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 6.9 ptmt -132.82 11.98 4.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.112 -0.992 . . . . 0.0 110.414 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.546 ' HB ' ' HD3' ' A' ' 9' ' ' PRO . 6.3 mt -83.93 -56.26 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.546 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 53.3 Cg_endo -75.9 -41.99 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 O-C-N 123.473 1.249 . . . . 0.0 110.515 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.3 tttt -65.76 -7.29 15.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 110.429 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -64.25 -43.3 95.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.376 -0.828 . . . . 0.0 110.022 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -37.72 23.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.583 0.706 . . . . 0.0 110.255 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -50.12 -27.07 5.15 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.6 0.714 . . . . 0.0 110.097 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 18' ' ' PHE . 5.0 m -86.68 -29.29 22.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.636 -0.665 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.46 72.56 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.499 -0.751 . . . . 0.0 110.294 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.39 -41.53 14.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.778 0.799 . . . . 0.0 109.863 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 1.28 50.3 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.301 0.572 . . . . 0.0 110.247 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' HB3' ' O ' ' A' ' 14' ' ' SER . 4.9 t80 -159.97 -73.85 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.859 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.411 ' HD3' ' HD2' ' A' ' 7' ' ' LYS . 4.5 mttm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.326 0.584 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.3 t-105 -125.04 -40.15 2.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 2.4 tptt -93.07 44.37 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.204 -0.935 . . . . 0.0 109.542 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -71.02 -6.1 36.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.608 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -73.68 -5.9 43.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 110.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -130.16 -16.4 3.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.403 -0.811 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -122.55 34.65 5.09 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.871 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 3.9 tt -53.54 122.26 31.22 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.671 -0.643 . . . . 0.0 110.374 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -77.11 146.32 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 O-C-N 123.756 1.398 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -55.38 -25.37 34.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.136 -0.978 . . . . 0.0 109.797 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 2.7 t80 -64.62 -24.99 67.77 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.739 0.78 . . . . 0.0 109.517 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.43 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -85.93 -12.45 50.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.54 0.686 . . . . 0.0 109.365 178.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -74.36 -48.63 26.88 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.82 0.819 . . . . 0.0 109.361 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.4 p -70.26 -13.35 62.13 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.512 0.672 . . . . 0.0 109.523 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 -30.5 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.805 0.812 . . . . 0.0 109.421 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.03 -31.87 21.76 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.942 0.877 . . . . 0.0 109.268 179.235 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -86.19 12.9 8.78 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.341 0.591 . . . . 0.0 109.95 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 35.5 t80 -112.81 56.98 0.66 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.21 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.275 0.56 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 30.9 p90 -51.75 -174.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.066 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 9.1 tptt -158.67 -47.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -63.37 -13.4 39.05 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.529 0.68 . . . . 0.0 110.457 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.61 -0.17 52.32 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.542 -0.724 . . . . 0.0 109.667 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -135.81 11.82 3.4 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.636 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' C ' ' CD ' ' A' ' 9' ' ' PRO . 3.3 ptmt -136.23 24.93 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.196 -0.94 . . . . 0.0 110.218 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.636 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 5.8 tp -114.41 35.6 0.17 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.333 -0.855 . . . . 0.0 111.795 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 50.5 Cg_endo -75.57 -6.17 17.36 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.116 1.061 . . . . 0.0 110.131 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.77 3.2 10.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.03 -60.96 2.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.992 . . . . 0.0 109.736 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.645 ' N ' ' CG ' ' A' ' 11' ' ' PHE . 4.4 pp -85.78 -7.17 58.92 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.215 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 6.3 t60 -76.44 -60.73 2.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.96 0.885 . . . . 0.0 109.373 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.1 p -75.1 -8.76 57.47 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.38 0.609 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 11' ' ' PHE . . . -78.75 -27.48 44.72 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.344 -0.848 . . . . 0.0 109.519 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -24.34 27.23 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.713 0.768 . . . . 0.0 109.629 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -85.34 1.33 48.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.82 23.97 11.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 110.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.44 55.79 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.224 -0.923 . . . . 0.0 110.272 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -114.21 -2.19 13.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.6 mp -73.77 -19.33 60.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.21 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -8.5 44.11 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.252 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -112.38 -10.43 13.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.577 -0.702 . . . . 0.0 110.18 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -127.72 28.22 5.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.463 ' CG1' ' O ' ' A' ' 4' ' ' LEU . 25.7 mm -131.49 132.51 23.55 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.616 -0.677 . . . . 0.0 109.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 46.3 Cg_endo -73.51 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.871 1.458 . . . . 0.0 110.523 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 13.2 tttt -76.88 2.99 13.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.78 -61.19 2.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.219 -0.926 . . . . 0.0 109.574 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.02 -10.54 54.86 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.508 0.67 . . . . 0.0 109.982 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.462 ' O ' ' HG3' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -64.89 -38.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.657 0.741 . . . . 0.0 110.136 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 -0.84 50.79 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.568 -0.708 . . . . 0.0 109.957 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.08 -52.76 7.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -16.69 60.66 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.511 0.672 . . . . 0.0 109.848 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -85.47 -89.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.473 -0.767 . . . . 0.0 110.338 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.83 -59.7 0.29 Allowed 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.364 -0.835 . . . . 0.0 110.442 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.262 0.553 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.485 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 2.3 p90 -143.03 165.21 27.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 0.0 110.145 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HD2' ' HG3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -164.98 66.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 110.347 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -65.73 -22.64 66.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.105 -0.997 . . . . 0.0 110.492 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -69.9 -7.46 40.47 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.352 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HG3' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -111.48 -15.34 13.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.467 -0.771 . . . . 0.0 109.505 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 ttpt -63.6 -36.05 82.53 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.865 0.84 . . . . 0.0 108.962 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 4' ' ' LEU . 2.5 mp -58.48 107.93 1.13 Allowed Pre-proline 0 C--N 1.297 -1.699 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 48.4 Cg_endo -80.99 -36.55 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 O-C-N 123.745 1.392 . . . . 0.0 109.948 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.32 -20.44 18.96 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.378 -0.826 . . . . 0.0 110.22 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' HB2' HG22 ' A' ' 8' ' ' ILE . 23.2 t80 -71.6 -52.68 16.78 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.32 -0.862 . . . . 0.0 109.761 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -16.39 64.15 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.22 -26.51 62.96 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.37 -26.69 24.67 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.777 0.798 . . . . 0.0 108.856 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.43 77.4 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.913 0.863 . . . . 0.0 109.246 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 15.7 ptpt -77.71 -22.65 50.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.607 0.718 . . . . 0.0 109.618 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 14' ' ' SER . 22.6 ttmt -85.61 7.49 23.02 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.629 -0.67 . . . . 0.0 109.461 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -120.96 58.61 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.767 . . . . 0.0 109.84 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -95.12 -168.22 1.76 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.943 -1.098 . . . . 0.0 110.275 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.71 -76.34 0.56 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -57.96 -16.2 11.5 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.665 0.745 . . . . 0.0 109.81 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -74.3 -7.25 52.16 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.414 178.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.53 13.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.499 -0.75 . . . . 0.0 110.252 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' HG12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.07 -10.45 53.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.616 HG23 ' HD2' ' A' ' 9' ' ' PRO . 8.0 mm -118.75 144.63 35.94 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.634 -0.667 . . . . 0.0 109.641 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.744 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.1 Cg_endo -73.33 52.4 2.35 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 123.926 1.487 . . . . 0.0 110.467 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -82.21 -0.6 45.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.974 . . . . 0.0 109.861 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.88 ' CZ ' HD23 ' A' ' 12' ' ' LEU . 44.5 p90 -83.23 -40.15 20.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.901 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.88 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 4.1 pp -83.09 -21.83 33.6 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.692 0.758 . . . . 0.0 109.621 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 58.8 t-80 -70.42 -42.27 71.82 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.866 0.841 . . . . 0.0 109.365 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -83.23 -15.6 49.74 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.738 0.78 . . . . 0.0 109.26 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -54.92 38.15 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.859 0.837 . . . . 0.0 109.474 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -75.23 -13.67 60.46 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.575 0.702 . . . . 0.0 109.804 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -85.79 21.38 1.9 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.573 -0.705 . . . . 0.0 110.245 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.27 64.32 1.38 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.913 . . . . 0.0 110.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.994 0.426 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -152.16 -45.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 111.079 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -140.64 51.4 1.65 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.852 -1.155 . . . . 0.0 111.552 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -66.27 -14.42 61.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.854 -1.154 . . . . 0.0 109.46 179.228 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.39 -5.2 54.1 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.633 -0.667 . . . . 0.0 109.398 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 10.0 ttpt -104.19 -19.62 14.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.595 -0.69 . . . . 0.0 109.876 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -103.36 12.02 35.89 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.222 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.708 HG23 ' O ' ' A' ' 8' ' ' ILE . 12.0 tt -111.02 110.02 56.93 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.32 -0.862 . . . . 0.0 110.089 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.61 -20.33 6.87 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 O-C-N 123.768 1.404 . . . . 0.0 111.736 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -16.64 59.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 111.195 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -80.18 -35.99 35.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.884 . . . . 0.0 110.03 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -13.91 46.34 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.593 -0.692 . . . . 0.0 109.927 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -26.38 39.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.509 -0.744 . . . . 0.0 109.533 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 -18.43 32.94 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.401 0.619 . . . . 0.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.65 35.16 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.392 -0.818 . . . . 0.0 109.878 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -86.19 -13.27 47.45 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.614 0.721 . . . . 0.0 109.719 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -65.15 1.04 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.866 0.841 . . . . 0.0 110.319 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -74.25 -60.15 2.4 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.792 -0.567 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.488 ' O ' ' CG ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.268 0.556 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.425 ' O ' ' HD2' ' A' ' 3' ' ' LYS . 19.7 t-105 -165.74 -130.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 0.0 110.099 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 2' ' ' TRP . 3.7 tptt -155.26 69.56 0.71 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.5 mt -54.73 -18.31 4.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.878 . . . . 0.0 110.612 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.81 -7.75 47.48 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.599 -0.841 . . . . 0.0 109.235 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -111.94 -11.05 13.92 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.539 0.685 . . . . 0.0 109.765 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -20.28 13.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.45 -0.781 . . . . 0.0 109.334 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.554 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 13.1 tt -60.62 147.51 83.51 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD2' ' CG1' ' A' ' 8' ' ' ILE . 45.1 Cg_endo -71.31 -0.87 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.799 1.42 . . . . 0.0 111.148 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -79.86 -14.68 58.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.938 -1.101 . . . . 0.0 110.271 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.891 ' CE2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.72 -44.7 92.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.891 HD23 ' CE2' ' A' ' 11' ' ' PHE . 1.5 pp -79.93 -24.05 41.31 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.629 0.728 . . . . 0.0 109.91 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 1.7 t60 -52.54 -64.03 0.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.802 0.81 . . . . 0.0 109.735 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -14.45 8.21 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.359 0.6 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -62.51 -37.67 86.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -0.855 . . . . 0.0 110.047 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.1 -24.23 26.36 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.66 0.743 . . . . 0.0 110.159 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 3.0 tmmm? -67.28 -30.83 70.8 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.58 0.705 . . . . 0.0 110.245 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.85 48.97 2.27 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.51 -0.744 . . . . 0.0 110.359 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 1.8 t90 -81.86 120.1 24.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.196 -0.94 . . . . 0.0 110.805 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -143.19 67.24 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.494 -0.754 . . . . 0.0 109.19 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.1 pp -65.38 -22.12 66.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.541 -0.724 . . . . 0.0 111.318 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -71.47 -7.99 50.99 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.593 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -118.63 -12.13 9.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.478 -0.763 . . . . 0.0 109.754 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -96.42 -5.98 38.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.504 -0.748 . . . . 0.0 109.86 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' ILE . 39.4 mm -124.46 66.49 45.15 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 110.197 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -76.82 48.17 2.38 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 123.811 1.427 . . . . 0.0 110.536 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 7.7 tttp -73.74 -4.01 31.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.004 . . . . 0.0 109.803 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -69.92 -55.11 10.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.313 -0.867 . . . . 0.0 109.69 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.35 -26.71 26.33 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.511 0.672 . . . . 0.0 110.154 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -41.69 78.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.925 0.869 . . . . 0.0 109.587 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 10' ' ' LYS . 1.5 t -82.36 -5.79 58.85 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.424 0.631 . . . . 0.0 109.57 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.29 -49.86 21.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.09 57.24 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 23.9 mmtt -85.5 -1.11 56.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.561 -0.712 . . . . 0.0 110.126 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 27.6 t80 -141.95 32.42 1.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 109.894 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tptm . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.263 0.554 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.38 16.13 26.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -151.74 4.54 0.42 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 0.0 111.744 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 4' ' ' LEU . 13.4 mt -84.82 -13.28 51.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.736 -1.228 . . . . 0.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' O ' ' CD1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -78.45 -5.21 51.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 109.384 178.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -119.33 -8.26 10.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.52 -0.738 . . . . 0.0 110.11 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 4.6 tppt? -106.16 -17.79 14.21 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 110.09 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.6 mm -124.11 73.32 57.04 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.919 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.76 81.03 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 124.062 1.559 . . . . 0.0 111.231 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -36.83 20.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.049 -1.032 . . . . 0.0 109.505 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.42 -35.0 74.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.721 0.772 . . . . 0.0 109.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' H ' HD12 ' A' ' 12' ' ' LEU . 3.2 mp -84.75 -12.23 54.15 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.625 0.726 . . . . 0.0 109.387 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -65.22 -37.63 87.88 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.635 0.731 . . . . 0.0 109.984 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -13.43 59.39 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.573 0.701 . . . . 0.0 109.727 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.62 62.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.506 -0.746 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' LYS . 4.9 ptmt -85.51 -22.59 28.1 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.537 0.684 . . . . 0.0 110.183 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 16' ' ' LYS . 3.9 mmtt -85.93 24.46 1.28 Allowed 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.655 -0.653 . . . . 0.0 110.875 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -145.05 45.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 110.115 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.921 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.22 0.534 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' CE2' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -137.14 -163.46 1.43 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.277 -0.889 . . . . 0.0 110.061 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.13 9.82 1.91 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -55.79 -19.34 11.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.118 -0.989 . . . . 0.0 109.425 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.468 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 6.4 t80 -68.88 -6.24 26.0 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.471 0.653 . . . . 0.0 109.727 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.11 -26.43 9.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 0.0 109.817 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -76.7 -11.62 59.87 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.552 0.692 . . . . 0.0 109.944 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 13' ' ' HIS . 2.7 tt -49.1 136.12 14.89 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.561 -0.712 . . . . 0.0 110.301 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 50.6 Cg_endo -76.02 149.81 33.11 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.908 1.478 . . . . 0.0 110.237 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -53.24 -28.12 25.7 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -61.87 -50.31 72.73 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.015 0.912 . . . . 0.0 109.173 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -13.93 46.92 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.551 0.691 . . . . 0.0 109.51 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.54 ' HA ' HD11 ' A' ' 8' ' ' ILE . 3.1 t60 -70.27 -58.15 4.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.708 0.766 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -60.42 -21.27 62.06 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.614 0.721 . . . . 0.0 109.116 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.96 59.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 5.4 ttpt -84.21 -39.32 19.47 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.86 0.838 . . . . 0.0 109.429 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -85.73 -11.7 52.96 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.529 0.68 . . . . 0.0 109.872 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 5.0 t80 -123.47 -62.24 1.33 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 0.0 110.155 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 6.5 p90 -134.79 -172.38 3.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.266 -0.896 . . . . 0.0 110.42 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 83.42 0.49 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.393 -0.817 . . . . 0.0 109.6 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.7 pp -53.84 -17.88 2.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.421 -0.8 . . . . 0.0 110.302 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.51 -3.92 23.86 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.644 -0.66 . . . . 0.0 110.405 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 3.8 ptmm? -139.81 -0.88 1.67 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.0 111.603 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 11.6 pttt -119.68 3.37 11.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.945 -1.097 . . . . 0.0 109.958 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.9 mm -113.93 86.76 11.61 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.421 -0.8 . . . . 0.0 108.964 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.99 131.37 18.04 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.105 1.582 . . . . 0.0 111.646 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -14.99 45.38 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.611 0.72 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.99 -42.48 80.69 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.593 0.711 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mp -85.65 -26.17 26.15 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.6 -0.688 . . . . 0.0 110.927 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.8 t-160 -57.62 -58.41 8.44 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.362 -0.836 . . . . 0.0 110.196 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 17' ' ' LYS . 9.1 p -62.83 -19.47 64.13 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.522 0.677 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -59.0 -58.24 9.53 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.75 0.786 . . . . 0.0 109.777 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.14 -4.49 58.43 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.81 179.283 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -85.59 -10.33 56.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.281 -0.887 . . . . 0.0 109.856 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -5.17 57.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.452 -0.78 . . . . 0.0 110.122 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.195 0.521 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -136.37 -8.34 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.255 -0.903 . . . . 0.0 111.315 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -109.88 40.4 1.92 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.787 -1.195 . . . . 0.0 110.221 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -64.65 -14.39 57.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.168 -0.958 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 10.2 t80 -74.54 -5.57 43.56 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.475 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -113.33 -11.11 13.22 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.743 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -117.48 12.4 14.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.373 -0.83 . . . . 0.0 110.63 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.794 ' O ' HG22 ' A' ' 8' ' ' ILE . 14.6 mm -141.22 62.74 16.6 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.189 -0.944 . . . . 0.0 109.872 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 54.9 Cg_endo -81.79 67.41 8.29 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.932 1.491 . . . . 0.0 110.881 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -91.37 -42.27 10.43 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.983 -1.073 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.62 -25.68 62.94 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.653 0.739 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tp -87.07 -46.87 9.4 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.848 0.832 . . . . 0.0 110.361 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -47.54 -25.95 1.27 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.99 -47.12 9.88 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.363 -0.836 . . . . 0.0 110.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.48 60.06 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.719 0.771 . . . . 0.0 109.535 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -86.22 -43.7 12.76 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.611 0.719 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.72 -27.38 25.32 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.562 -0.711 . . . . 0.0 111.087 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -165.62 63.38 0.11 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.209 0.528 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 3' ' ' LYS . 5.8 t90 -152.67 -123.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.728 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -122.74 33.41 5.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.838 -1.164 . . . . 0.0 109.488 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -76.83 -29.88 56.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.477 -0.764 . . . . 0.0 110.009 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.96 -10.51 29.81 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.479 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -27.78 6.07 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.866 0.841 . . . . 0.0 109.658 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 3' ' ' LYS . 5.4 ttpt -95.51 -2.75 47.97 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.238 0.542 . . . . 0.0 109.63 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -51.88 106.03 0.6 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.4 Cg_endo -84.65 69.2 6.05 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.009 1.531 . . . . 0.0 110.363 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -23.56 23.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.466 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -33.85 62.76 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.84 0.829 . . . . 0.0 108.987 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.54 -23.82 39.72 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.053 0.93 . . . . 0.0 108.761 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -70.37 -24.54 62.98 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.691 0.758 . . . . 0.0 109.309 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.12 -15.24 41.75 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.589 0.709 . . . . 0.0 109.938 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.54 55.26 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.645 0.736 . . . . 0.0 109.896 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -19.18 44.04 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.723 0.773 . . . . 0.0 109.449 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -85.66 0.63 52.13 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.278 0.561 . . . . 0.0 110.129 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.4 -71.52 0.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.843 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.507 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 1.9 p90 -154.14 161.94 41.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.139 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.78 -35.53 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.52 -19.05 55.87 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.431 -0.793 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -76.06 -2.85 32.75 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.523 -0.735 . . . . 0.0 109.446 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.55 3.23 11.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 110.122 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 22.1 ttpt -108.8 1.29 20.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.463 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.2 110.15 36.41 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.0 110.044 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD2' HD13 ' A' ' 8' ' ' ILE . 51.2 Cg_endo -83.02 -9.06 10.82 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.757 1.399 . . . . 0.0 110.635 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 mtpp -80.63 -8.04 59.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.199 -0.938 . . . . 0.0 110.528 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . 14.0 t80 -68.68 -56.05 9.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -5.26 59.3 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.376 0.608 . . . . 0.0 109.914 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.65 -17.5 55.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.39 -0.819 . . . . 0.0 109.894 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -85.38 -24.08 27.71 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.473 -0.767 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.76 -24.46 41.51 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.723 0.773 . . . . 0.0 109.478 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -85.58 -19.96 30.28 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.619 0.723 . . . . 0.0 109.562 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -85.56 -92.37 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.671 -0.643 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.41 45.78 2.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.469 -0.769 . . . . 0.0 110.189 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.326 0.584 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -165.49 -32.0 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 110.547 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 2.0 mptt -96.07 45.87 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.124 -0.985 . . . . 0.0 110.981 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 1.1 pp -61.51 -21.58 64.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.904 -1.122 . . . . 0.0 109.078 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 1.1 t80 -75.78 -5.61 46.63 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.549 0.69 . . . . 0.0 109.236 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 5.7 ttpt -122.86 -15.16 7.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.539 -0.725 . . . . 0.0 110.742 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' CD ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.51 -15.92 62.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.944 . . . . 0.0 109.398 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.936 HG22 ' H ' ' A' ' 10' ' ' LYS . 67.8 mt -103.01 141.21 22.02 Favored Pre-proline 0 C--N 1.299 -1.613 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 8' ' ' ILE . 42.3 Cg_endo -68.54 3.28 2.29 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.773 1.407 . . . . 0.0 111.581 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.936 ' H ' HG22 ' A' ' 8' ' ' ILE . 64.3 mmtt -70.08 -12.45 61.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.716 -1.24 . . . . 0.0 110.159 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.3 p90 -72.45 -24.29 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.045 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 1.1 tt -84.73 -37.44 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.673 0.749 . . . . 0.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -73.27 -27.03 61.33 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.864 0.84 . . . . 0.0 109.057 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 p -85.68 -21.44 28.34 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.586 0.707 . . . . 0.0 109.721 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.27 -43.73 66.63 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.415 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -13.1 60.58 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.609 0.719 . . . . 0.0 109.387 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -85.73 -6.7 59.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.572 -0.705 . . . . 0.0 110.027 179.473 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -86.49 -21.52 26.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.423 -0.798 . . . . 0.0 110.194 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.23 0.538 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -144.22 -143.49 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.923 . . . . 0.0 110.179 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 6.2 mmtt -81.79 -10.37 59.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 0.0 110.19 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 7.0 mt -85.03 -27.21 26.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.276 -0.89 . . . . 0.0 109.735 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -2.18 27.66 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.515 0.674 . . . . 0.0 109.486 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -21.43 5.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.48 -0.762 . . . . 0.0 110.502 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.84 8.29 34.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.363 -0.836 . . . . 0.0 110.551 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 4' ' ' LEU . 50.5 mm -117.94 90.01 35.73 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 110.124 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 52.5 Cg_endo -79.23 44.48 1.7 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 123.896 1.472 . . . . 0.0 110.459 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.76 -1.7 26.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.036 -1.04 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -71.82 -51.22 23.61 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.429 -0.794 . . . . 0.0 109.464 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -25.68 25.93 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.662 0.744 . . . . 0.0 109.801 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -61.98 -31.76 72.15 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.78 0.8 . . . . 0.0 109.719 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -19.42 55.74 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.577 0.704 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 -17.28 54.92 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.643 0.735 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -31.73 22.05 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.634 0.73 . . . . 0.0 110.062 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.6 -0.35 52.96 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.684 -0.635 . . . . 0.0 110.575 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CD1' ' O ' ' A' ' 18' ' ' PHE . 1.2 t80 -102.91 51.99 0.79 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.234 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -165.36 101.51 0.72 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.23 -0.919 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -155.59 13.19 0.34 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.009 -1.057 . . . . 0.0 110.953 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.805 HD12 HG13 ' A' ' 8' ' ' ILE . 2.2 pp -60.68 -17.51 48.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.737 -1.227 . . . . 0.0 109.264 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.579 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.08 -16.73 14.09 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.678 0.751 . . . . 0.0 109.631 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -113.37 -4.68 13.61 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.187 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -124.88 6.53 8.04 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.805 HG13 HD12 ' A' ' 4' ' ' LEU . 2.1 mt -49.52 -60.78 4.33 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.509 -0.744 . . . . 0.0 111.21 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 40.4 Cg_endo -65.76 -16.47 53.32 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.825 1.434 . . . . 0.0 111.524 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -83.12 -24.37 32.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.888 -1.133 . . . . 0.0 109.812 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.7 t80 -73.59 -29.84 62.65 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 12' ' ' LEU . 17.7 tp -84.18 -21.38 31.3 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.862 0.839 . . . . 0.0 109.265 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.98 95.96 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.886 0.851 . . . . 0.0 109.279 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -85.91 -14.29 45.23 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.4 0.619 . . . . 0.0 110.347 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.28 -27.11 59.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.358 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -36.18 18.69 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.737 0.779 . . . . 0.0 109.916 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -84.96 2.47 42.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.807 -0.558 . . . . 0.0 110.094 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -140.1 10.21 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.304 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.644 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -91.44 151.89 20.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.4 mttp -88.62 -12.1 43.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.965 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -76.36 -14.77 60.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.447 -0.783 . . . . 0.0 109.56 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -12.36 41.03 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.634 0.731 . . . . 0.0 109.79 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -115.76 -19.4 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.561 0.696 . . . . 0.0 109.803 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.53 -9.09 56.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.542 -0.724 . . . . 0.0 109.703 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.9 mt -108.91 127.12 27.9 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 110.101 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 11' ' ' PHE . 49.6 Cg_endo -78.52 84.95 1.92 Allowed 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.013 1.533 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -60.04 -23.7 63.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.279 -0.888 . . . . 0.0 109.654 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 9' ' ' PRO . 21.8 p90 -70.25 -21.54 62.97 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.642 0.734 . . . . 0.0 109.691 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.79 -17.98 34.25 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.586 -0.696 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -75.09 -45.76 39.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.723 0.773 . . . . 0.0 109.553 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -17.63 61.18 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.679 0.752 . . . . 0.0 109.342 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -12.16 58.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 -42.07 15.2 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.757 0.789 . . . . 0.0 109.227 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -14.16 46.49 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.628 0.727 . . . . 0.0 109.833 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -108.85 -53.11 2.68 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.539 -0.726 . . . . 0.0 110.158 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 mttm . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.098 0.475 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -126.15 13.39 7.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.07 63.59 1.56 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.474 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 4' ' ' LEU . 5.4 mp -82.52 -24.75 33.96 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.943 0.878 . . . . 0.0 108.991 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -4.91 51.16 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.52 0.676 . . . . 0.0 109.252 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -119.49 -11.78 9.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.564 -0.71 . . . . 0.0 110.031 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 5.4 tttt -106.34 1.34 25.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 0.0 109.864 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 6.5 tp -68.41 131.67 91.65 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.764 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.24 111.77 3.39 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 O-C-N 124.004 1.528 . . . . 0.0 110.156 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -82.64 9.95 8.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.939 -1.101 . . . . 0.0 110.402 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -72.19 -70.78 0.32 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.141 0.972 . . . . 0.0 109.325 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.6 ' C ' HD12 ' A' ' 12' ' ' LEU . 4.6 pp -85.46 -7.28 59.0 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.254 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 3.7 t-80 -74.8 -33.77 62.27 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -18.74 65.48 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.742 0.782 . . . . 0.0 109.311 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.74 48.56 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.69 0.757 . . . . 0.0 109.462 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -83.44 -18.86 37.22 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.735 0.779 . . . . 0.0 109.57 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 6.8 tttt -85.64 -12.97 50.04 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.591 -0.693 . . . . 0.0 109.933 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -46.3 -28.24 1.25 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.493 -0.754 . . . . 0.0 110.278 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.144 0.497 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -88.86 -177.65 5.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.206 -0.934 . . . . 0.0 110.074 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -127.41 -52.14 1.38 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.741 -179.514 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -51.35 -23.5 3.76 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.548 -0.72 . . . . 0.0 110.407 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.06 -3.4 29.17 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.541 -0.724 . . . . 0.0 109.612 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -3.57 12.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.535 -0.728 . . . . 0.0 110.748 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 6.9 ptmt -132.82 11.98 4.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.112 -0.992 . . . . 0.0 110.414 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 4' ' ' LEU . 6.3 mt -83.93 -56.26 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.598 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 53.3 Cg_endo -75.9 -41.99 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 O-C-N 123.473 1.249 . . . . 0.0 110.515 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.3 tttt -65.76 -7.29 15.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 110.429 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -64.25 -43.3 95.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.376 -0.828 . . . . 0.0 110.022 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -83.14 -37.72 23.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.583 0.706 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -50.12 -27.07 5.15 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.6 0.714 . . . . 0.0 110.097 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 18' ' ' PHE . 5.0 m -86.68 -29.29 22.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.636 -0.665 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.46 72.56 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.499 -0.751 . . . . 0.0 110.294 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.39 -41.53 14.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.778 0.799 . . . . 0.0 109.863 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 1.28 50.3 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.301 0.572 . . . . 0.0 110.247 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 14' ' ' SER . 4.9 t80 -159.97 -73.85 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.859 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HD3' ' HD2' ' A' ' 7' ' ' LYS . 4.5 mttm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.326 0.584 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.3 t-105 -125.04 -40.15 2.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 2.4 tptt -93.07 44.37 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.204 -0.935 . . . . 0.0 109.542 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.7 pp -71.02 -6.1 36.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.608 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -73.68 -5.9 43.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 110.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -130.16 -16.4 3.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.403 -0.811 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -122.55 34.65 5.09 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.871 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 8' ' ' ILE . 3.9 tt -53.54 122.26 31.22 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.671 -0.643 . . . . 0.0 110.374 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -77.11 146.32 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 O-C-N 123.756 1.398 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -55.38 -25.37 34.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.136 -0.978 . . . . 0.0 109.797 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 11' ' ' PHE . 2.7 t80 -64.62 -24.99 67.77 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.739 0.78 . . . . 0.0 109.517 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -85.93 -12.45 50.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.54 0.686 . . . . 0.0 109.365 178.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -74.36 -48.63 26.88 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.82 0.819 . . . . 0.0 109.361 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 84.4 p -70.26 -13.35 62.13 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.512 0.672 . . . . 0.0 109.523 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 -30.5 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.805 0.812 . . . . 0.0 109.421 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.03 -31.87 21.76 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.942 0.877 . . . . 0.0 109.268 179.235 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -86.19 12.9 8.78 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.341 0.591 . . . . 0.0 109.95 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' O ' ' CG ' ' A' ' 18' ' ' PHE . 35.5 t80 -112.81 56.98 0.66 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.21 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.275 0.56 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 30.9 p90 -51.75 -174.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.066 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 9.1 tptt -158.67 -47.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -63.37 -13.4 39.05 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.529 0.68 . . . . 0.0 110.457 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.61 -0.17 52.32 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.542 -0.724 . . . . 0.0 109.667 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -135.81 11.82 3.4 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.636 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 3.3 ptmt -136.23 24.93 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.196 -0.94 . . . . 0.0 110.218 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 8' ' ' ILE . 5.8 tp -114.41 35.6 0.17 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.333 -0.855 . . . . 0.0 111.795 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 50.5 Cg_endo -75.57 -6.17 17.36 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.116 1.061 . . . . 0.0 110.131 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.77 3.2 10.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.03 -60.96 2.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.992 . . . . 0.0 109.736 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.706 ' C ' HD12 ' A' ' 12' ' ' LEU . 4.4 pp -85.78 -7.17 58.92 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.215 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 6.3 t60 -76.44 -60.73 2.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.96 0.885 . . . . 0.0 109.373 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.1 p -75.1 -8.76 57.47 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.38 0.609 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -78.75 -27.48 44.72 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.344 -0.848 . . . . 0.0 109.519 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -24.34 27.23 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.713 0.768 . . . . 0.0 109.629 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -85.34 1.33 48.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.82 23.97 11.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 110.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.44 55.79 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.224 -0.923 . . . . 0.0 110.272 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -114.21 -2.19 13.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.6 mp -73.77 -19.33 60.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.21 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -8.5 44.11 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.252 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -112.38 -10.43 13.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.577 -0.702 . . . . 0.0 110.18 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -127.72 28.22 5.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 179.688 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 4' ' ' LEU . 25.7 mm -131.49 132.51 23.55 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.616 -0.677 . . . . 0.0 109.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 46.3 Cg_endo -73.51 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.871 1.458 . . . . 0.0 110.523 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 13.2 tttt -76.88 2.99 13.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.78 -61.19 2.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.219 -0.926 . . . . 0.0 109.574 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -86.02 -10.54 54.86 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.508 0.67 . . . . 0.0 109.982 179.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.89 -38.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.657 0.741 . . . . 0.0 110.136 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 -0.84 50.79 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.568 -0.708 . . . . 0.0 109.957 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.08 -52.76 7.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -16.69 60.66 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.511 0.672 . . . . 0.0 109.848 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -85.47 -89.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.473 -0.767 . . . . 0.0 110.338 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.83 -59.7 0.29 Allowed 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.364 -0.835 . . . . 0.0 110.442 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.262 0.553 . . . . 0.0 110.338 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.485 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 2.3 p90 -143.03 165.21 27.98 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.208 -0.932 . . . . 0.0 110.145 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' HD2' ' HG3' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -164.98 66.33 0.13 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.271 -0.893 . . . . 0.0 110.347 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 8' ' ' ILE . 2.8 pp -65.73 -22.64 66.62 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.105 -0.997 . . . . 0.0 110.492 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -69.9 -7.46 40.47 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.359 -0.838 . . . . 0.0 109.352 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HG3' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -111.48 -15.34 13.55 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.467 -0.771 . . . . 0.0 109.505 179.255 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.464 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 ttpt -63.6 -36.05 82.53 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.865 0.84 . . . . 0.0 108.962 179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 4' ' ' LEU . 2.5 mp -58.48 107.93 1.13 Allowed Pre-proline 0 C--N 1.297 -1.699 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 48.4 Cg_endo -80.99 -36.55 0.38 Allowed 'Trans proline' 0 C--N 1.308 -1.6 0 O-C-N 123.745 1.392 . . . . 0.0 109.948 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -56.32 -20.44 18.96 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.378 -0.826 . . . . 0.0 110.22 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' HB2' HG22 ' A' ' 8' ' ' ILE . 23.2 t80 -71.6 -52.68 16.78 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.32 -0.862 . . . . 0.0 109.761 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.6 -16.39 64.15 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.435 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.22 -26.51 62.96 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 179.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -86.37 -26.69 24.67 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 121.777 0.798 . . . . 0.0 108.856 178.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.43 77.4 Favored 'General case' 0 N--CA 1.49 1.545 0 CA-C-O 121.913 0.863 . . . . 0.0 109.246 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.42 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 15.7 ptpt -77.71 -22.65 50.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.607 0.718 . . . . 0.0 109.618 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HB3' ' HA ' ' A' ' 14' ' ' SER . 22.6 ttmt -85.61 7.49 23.02 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.629 -0.67 . . . . 0.0 109.461 178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 14' ' ' SER . 0.1 OUTLIER -120.96 58.61 0.95 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.472 -0.767 . . . . 0.0 109.84 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.902 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 120.951 0.405 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' PHE . 0.1 OUTLIER -95.12 -168.22 1.76 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.943 -1.098 . . . . 0.0 110.275 179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.71 -76.34 0.56 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.283 -0.886 . . . . 0.0 110.256 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -57.96 -16.2 11.5 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.665 0.745 . . . . 0.0 109.81 179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' HB2' ' HB3' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -74.3 -7.25 52.16 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.414 178.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.99 -13.53 13.59 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.499 -0.75 . . . . 0.0 110.252 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' HG3' HG12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -68.07 -10.45 53.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.206 -0.934 . . . . 0.0 109.446 179.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.616 HG23 ' HD2' ' A' ' 9' ' ' PRO . 8.0 mm -118.75 144.63 35.94 Favored Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.634 -0.667 . . . . 0.0 109.641 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.744 ' HB2' HD21 ' A' ' 12' ' ' LEU . 47.1 Cg_endo -73.33 52.4 2.35 Favored 'Trans proline' 0 C--N 1.304 -1.763 0 O-C-N 123.926 1.487 . . . . 0.0 110.467 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -82.21 -0.6 45.91 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.141 -0.974 . . . . 0.0 109.861 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.88 ' CZ ' HD23 ' A' ' 12' ' ' LEU . 44.5 p90 -83.23 -40.15 20.0 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.291 -0.881 . . . . 0.0 109.901 179.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.88 HD23 ' CZ ' ' A' ' 11' ' ' PHE . 4.1 pp -83.09 -21.83 33.6 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.692 0.758 . . . . 0.0 109.621 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' N ' HD12 ' A' ' 12' ' ' LEU . 58.8 t-80 -70.42 -42.27 71.82 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 121.866 0.841 . . . . 0.0 109.365 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -83.23 -15.6 49.74 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.738 0.78 . . . . 0.0 109.26 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.2 -54.92 38.15 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 121.859 0.837 . . . . 0.0 109.474 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -75.23 -13.67 60.46 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.575 0.702 . . . . 0.0 109.804 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -85.79 21.38 1.9 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.573 -0.705 . . . . 0.0 110.245 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -142.27 64.32 1.38 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.24 -0.913 . . . . 0.0 110.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.292 0 O-C-N 119.754 -1.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.442 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 120.994 0.426 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.442 ' CE3' ' O ' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -152.16 -45.07 0.11 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.089 -1.007 . . . . 0.0 111.079 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -140.64 51.4 1.65 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.852 -1.155 . . . . 0.0 111.552 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -66.27 -14.42 61.96 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.854 -1.154 . . . . 0.0 109.46 179.228 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.39 -5.2 54.1 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.633 -0.667 . . . . 0.0 109.398 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 10.0 ttpt -104.19 -19.62 14.08 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.595 -0.69 . . . . 0.0 109.876 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -103.36 12.02 35.89 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 119.893 -0.723 . . . . 0.0 110.222 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 8' ' ' ILE . 12.0 tt -111.02 110.02 56.93 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.32 -0.862 . . . . 0.0 110.089 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -81.61 -20.33 6.87 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 O-C-N 123.768 1.404 . . . . 0.0 111.736 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -16.64 59.89 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.982 -1.074 . . . . 0.0 111.195 -178.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -80.18 -35.99 35.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.285 -0.884 . . . . 0.0 110.03 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -13.91 46.34 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 121.593 -0.692 . . . . 0.0 109.927 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -80.0 -26.38 39.9 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.509 -0.744 . . . . 0.0 109.533 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 m -85.81 -18.43 32.94 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.401 0.619 . . . . 0.0 110.265 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.95 -30.65 35.16 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.392 -0.818 . . . . 0.0 109.878 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -86.19 -13.27 47.45 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.614 0.721 . . . . 0.0 109.719 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -65.15 1.04 Allowed 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.866 0.841 . . . . 0.0 110.319 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -74.25 -60.15 2.4 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.792 -0.567 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.835 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.268 0.556 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.425 ' O ' ' HD2' ' A' ' 3' ' ' LYS . 19.7 t-105 -165.74 -130.57 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.309 -0.869 . . . . 0.0 110.099 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 2' ' ' TRP . 3.7 tptt -155.26 69.56 0.71 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.012 -1.055 . . . . 0.0 109.823 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 3.5 mt -54.73 -18.31 4.51 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.296 -0.878 . . . . 0.0 110.612 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -70.81 -7.75 47.48 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.599 -0.841 . . . . 0.0 109.235 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -111.94 -11.05 13.92 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.539 0.685 . . . . 0.0 109.765 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.3 -20.28 13.33 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.45 -0.781 . . . . 0.0 109.334 179.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.554 ' CG1' ' HD2' ' A' ' 9' ' ' PRO . 13.1 tt -60.62 147.51 83.51 Favored Pre-proline 0 C--N 1.298 -1.645 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' HD2' ' CG1' ' A' ' 8' ' ' ILE . 45.1 Cg_endo -71.31 -0.87 8.77 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 O-C-N 123.799 1.42 . . . . 0.0 111.148 -179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -79.86 -14.68 58.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.938 -1.101 . . . . 0.0 110.271 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.891 ' CE2' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -63.72 -44.7 92.81 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.352 -0.842 . . . . 0.0 110.022 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.891 HD23 ' CE2' ' A' ' 11' ' ' PHE . 1.5 pp -79.93 -24.05 41.31 Favored 'General case' 0 C--N 1.291 -1.935 0 CA-C-O 121.629 0.728 . . . . 0.0 109.91 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 1.7 t60 -52.54 -64.03 0.95 Allowed 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.802 0.81 . . . . 0.0 109.735 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 p -58.59 -14.45 8.21 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-O 121.359 0.6 . . . . 0.0 110.145 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.804 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -62.51 -37.67 86.95 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.332 -0.855 . . . . 0.0 110.047 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.1 -24.23 26.36 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.66 0.743 . . . . 0.0 110.159 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 3.0 tmmm? -67.28 -30.83 70.8 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.58 0.705 . . . . 0.0 110.245 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.85 48.97 2.27 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.51 -0.744 . . . . 0.0 110.359 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.956 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.209 0.528 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' O ' ' HD3' ' A' ' 3' ' ' LYS . 1.8 t90 -81.86 120.1 24.76 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.196 -0.94 . . . . 0.0 110.805 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 2' ' ' TRP . 0.6 OUTLIER -143.19 67.24 1.3 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.494 -0.754 . . . . 0.0 109.19 179.541 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 4' ' ' LEU . 4.1 pp -65.38 -22.12 66.76 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.541 -0.724 . . . . 0.0 111.318 -178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -71.47 -7.99 50.99 Favored 'General case' 0 C--N 1.292 -1.898 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.593 179.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -118.63 -12.13 9.78 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.478 -0.763 . . . . 0.0 109.754 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -96.42 -5.98 38.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.504 -0.748 . . . . 0.0 109.86 179.699 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.531 ' O ' HG22 ' A' ' 8' ' ' ILE . 39.4 mm -124.46 66.49 45.15 Favored Pre-proline 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.836 . . . . 0.0 110.197 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -76.82 48.17 2.38 Favored 'Trans proline' 0 C--N 1.303 -1.843 0 O-C-N 123.811 1.427 . . . . 0.0 110.536 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 7.7 tttp -73.74 -4.01 31.94 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.094 -1.004 . . . . 0.0 109.803 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -69.92 -55.11 10.54 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.313 -0.867 . . . . 0.0 109.69 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mp -85.35 -26.71 26.33 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.511 0.672 . . . . 0.0 110.154 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.65 -41.69 78.98 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 121.925 0.869 . . . . 0.0 109.587 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 10' ' ' LYS . 1.5 t -82.36 -5.79 58.85 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.424 0.631 . . . . 0.0 109.57 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.29 -49.86 21.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.338 -0.851 . . . . 0.0 109.926 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -20.09 57.24 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.482 -0.761 . . . . 0.0 109.575 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 14' ' ' SER . 23.9 mmtt -85.5 -1.11 56.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.561 -0.712 . . . . 0.0 110.126 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 27.6 t80 -141.95 32.42 1.58 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.289 -0.882 . . . . 0.0 109.894 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.7 tptm . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.263 0.554 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.38 16.13 26.1 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.316 -0.865 . . . . 0.0 110.239 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -151.74 4.54 0.42 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.133 -0.98 . . . . 0.0 111.744 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' HA ' HD23 ' A' ' 4' ' ' LEU . 13.4 mt -84.82 -13.28 51.55 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.736 -1.228 . . . . 0.0 110.187 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.409 ' CD1' ' O ' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -78.45 -5.21 51.84 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 109.384 178.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -119.33 -8.26 10.11 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.52 -0.738 . . . . 0.0 110.11 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 4.6 tppt? -106.16 -17.79 14.21 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.392 -0.817 . . . . 0.0 110.09 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.6 mm -124.11 73.32 57.04 Favored Pre-proline 0 N--CA 1.493 1.682 0 O-C-N 121.458 -0.776 . . . . 0.0 109.919 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -73.76 81.03 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.682 0 O-C-N 124.062 1.559 . . . . 0.0 111.231 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -36.83 20.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.049 -1.032 . . . . 0.0 109.505 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -60.42 -35.0 74.76 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-O 121.721 0.772 . . . . 0.0 109.495 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 12' ' ' LEU . 3.2 mp -84.75 -12.23 54.15 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-O 121.625 0.726 . . . . 0.0 109.387 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -65.22 -37.63 87.88 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 121.635 0.731 . . . . 0.0 109.984 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -13.43 59.39 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-O 121.573 0.701 . . . . 0.0 109.727 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.95 -48.62 62.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.506 -0.746 . . . . 0.0 110.308 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HG3' ' HG2' ' A' ' 17' ' ' LYS . 4.9 ptmt -85.51 -22.59 28.1 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.537 0.684 . . . . 0.0 110.183 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 16' ' ' LYS . 3.9 mmtt -85.93 24.46 1.28 Allowed 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.655 -0.653 . . . . 0.0 110.875 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -145.05 45.4 1.34 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.009 -1.057 . . . . 0.0 110.115 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.921 -1.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.3 mtpp . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.22 0.534 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' CE2' HD21 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -137.14 -163.46 1.43 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.277 -0.889 . . . . 0.0 110.061 179.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -142.13 9.82 1.91 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.21 -0.931 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.583 HD21 ' CE2' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -55.79 -19.34 11.03 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.118 -0.989 . . . . 0.0 109.425 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.468 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 6.4 t80 -68.88 -6.24 26.0 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.471 0.653 . . . . 0.0 109.727 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -111.11 -26.43 9.23 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.417 -0.802 . . . . 0.0 109.817 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -76.7 -11.62 59.87 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-O 121.552 0.692 . . . . 0.0 109.944 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 13' ' ' HIS . 2.7 tt -49.1 136.12 14.89 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.561 -0.712 . . . . 0.0 110.301 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 50.6 Cg_endo -76.02 149.81 33.11 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.908 1.478 . . . . 0.0 110.237 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 0.5 OUTLIER -53.24 -28.12 25.7 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.115 -0.991 . . . . 0.0 109.971 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.515 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER -61.87 -50.31 72.73 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 122.015 0.912 . . . . 0.0 109.173 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.71 -13.93 46.92 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-O 121.551 0.691 . . . . 0.0 109.51 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.54 ' HA ' HD11 ' A' ' 8' ' ' ILE . 3.1 t60 -70.27 -58.15 4.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.708 0.766 . . . . 0.0 109.615 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 m -60.42 -21.27 62.06 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-O 121.614 0.721 . . . . 0.0 109.116 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.49 -11.96 59.96 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB3' ' O ' ' A' ' 13' ' ' HIS . 5.4 ttpt -84.21 -39.32 19.47 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 121.86 0.838 . . . . 0.0 109.429 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 18' ' ' PHE . 0.1 OUTLIER -85.73 -11.7 52.96 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.529 0.68 . . . . 0.0 109.872 179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' HE3' ' A' ' 17' ' ' LYS . 5.0 t80 -123.47 -62.24 1.33 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.519 -0.738 . . . . 0.0 110.155 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.223 0.535 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' CD1' ' C ' ' A' ' 2' ' ' TRP . 6.5 p90 -134.79 -172.38 3.02 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.266 -0.896 . . . . 0.0 110.42 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.15 83.42 0.49 Allowed 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.393 -0.817 . . . . 0.0 109.6 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 2.7 pp -53.84 -17.88 2.81 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.421 -0.8 . . . . 0.0 110.302 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -71.51 -3.92 23.86 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.644 -0.66 . . . . 0.0 110.405 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' HB2' ' HE2' ' A' ' 6' ' ' LYS . 3.8 ptmm? -139.81 -0.88 1.67 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.216 -0.927 . . . . 0.0 111.603 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 11.6 pttt -119.68 3.37 11.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.945 -1.097 . . . . 0.0 109.958 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 8' ' ' ILE . 17.9 mm -113.93 86.76 11.61 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.421 -0.8 . . . . 0.0 108.964 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -71.99 131.37 18.04 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 O-C-N 124.105 1.582 . . . . 0.0 111.646 -178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.11 -14.99 45.38 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-O 121.611 0.72 . . . . 0.0 109.34 179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.99 -42.48 80.69 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.593 0.711 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.629 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 2.5 mp -85.65 -26.17 26.15 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.6 -0.688 . . . . 0.0 110.927 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.529 ' O ' ' HB2' ' A' ' 17' ' ' LYS . 4.8 t-160 -57.62 -58.41 8.44 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.362 -0.836 . . . . 0.0 110.196 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.4 ' HA ' ' CB ' ' A' ' 17' ' ' LYS . 9.1 p -62.83 -19.47 64.13 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.522 0.677 . . . . 0.0 110.195 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -59.0 -58.24 9.53 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.75 0.786 . . . . 0.0 109.777 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -83.14 -4.49 58.43 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.81 179.283 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.529 ' HB2' ' O ' ' A' ' 13' ' ' HIS . 1.0 OUTLIER -85.59 -10.33 56.02 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.281 -0.887 . . . . 0.0 109.856 179.346 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -5.17 57.9 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.452 -0.78 . . . . 0.0 110.122 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 121.195 0.521 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -136.37 -8.34 1.98 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.255 -0.903 . . . . 0.0 111.315 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -109.88 40.4 1.92 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.787 -1.195 . . . . 0.0 110.221 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 0.7 OUTLIER -64.65 -14.39 57.97 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.168 -0.958 . . . . 0.0 110.023 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 10.2 t80 -74.54 -5.57 43.56 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.433 -0.792 . . . . 0.0 109.475 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mtmt -113.33 -11.11 13.22 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.476 -0.765 . . . . 0.0 109.743 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.551 ' HE3' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -117.48 12.4 14.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.373 -0.83 . . . . 0.0 110.63 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.794 ' O ' HG22 ' A' ' 8' ' ' ILE . 14.6 mm -141.22 62.74 16.6 Favored Pre-proline 0 N--CA 1.496 1.839 0 O-C-N 121.189 -0.944 . . . . 0.0 109.872 179.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 8' ' ' ILE . 54.9 Cg_endo -81.79 67.41 8.29 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.932 1.491 . . . . 0.0 110.881 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -91.37 -42.27 10.43 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.983 -1.073 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -58.62 -25.68 62.94 Favored 'General case' 0 C--N 1.293 -1.861 0 CA-C-O 121.653 0.739 . . . . 0.0 109.701 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 tp -87.07 -46.87 9.4 Favored 'General case' 0 C--N 1.295 -1.79 0 CA-C-O 121.848 0.832 . . . . 0.0 110.361 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -47.54 -25.95 1.27 Allowed 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.417 0.627 . . . . 0.0 111.162 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.99 -47.12 9.88 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.363 -0.836 . . . . 0.0 110.1 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.48 60.06 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.719 0.771 . . . . 0.0 109.535 179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -86.22 -43.7 12.76 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-O 121.611 0.719 . . . . 0.0 110.801 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.72 -27.38 25.32 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.562 -0.711 . . . . 0.0 111.087 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -165.62 63.38 0.11 Allowed 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.247 -0.908 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.209 0.528 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 3' ' ' LYS . 5.8 t90 -152.67 -123.84 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.38 -0.825 . . . . 0.0 109.728 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' HD2' ' CD1' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -122.74 33.41 5.43 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.838 -1.164 . . . . 0.0 109.488 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -76.83 -29.88 56.11 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.477 -0.764 . . . . 0.0 110.009 -179.642 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -64.96 -10.51 29.81 Favored 'General case' 0 C--N 1.293 -1.889 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.479 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.96 -27.78 6.07 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-O 121.866 0.841 . . . . 0.0 109.658 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 3' ' ' LYS . 5.4 ttpt -95.51 -2.75 47.97 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.238 0.542 . . . . 0.0 109.63 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -51.88 106.03 0.6 Allowed Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.362 -0.836 . . . . 0.0 109.699 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 7' ' ' LYS . 49.4 Cg_endo -84.65 69.2 6.05 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 O-C-N 124.009 1.531 . . . . 0.0 110.363 -179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -23.56 23.64 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.228 -0.92 . . . . 0.0 110.466 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -33.85 62.76 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 121.84 0.829 . . . . 0.0 108.987 179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 mp -80.54 -23.82 39.72 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 122.053 0.93 . . . . 0.0 108.761 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -70.37 -24.54 62.98 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.691 0.758 . . . . 0.0 109.309 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.0 m -86.12 -15.24 41.75 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.589 0.709 . . . . 0.0 109.938 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.75 -40.54 55.26 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.645 0.736 . . . . 0.0 109.896 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -19.18 44.04 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.723 0.773 . . . . 0.0 109.449 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -85.66 0.63 52.13 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-O 121.278 0.561 . . . . 0.0 110.129 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.4 -71.52 0.71 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.271 -0.893 . . . . 0.0 110.17 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 119.843 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.262 0.553 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.507 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 1.9 p90 -154.14 161.94 41.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.265 -0.897 . . . . 0.0 110.139 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -162.78 -35.53 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.231 -0.918 . . . . 0.0 110.574 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.52 -19.05 55.87 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.431 -0.793 . . . . 0.0 109.966 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -76.06 -2.85 32.75 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.523 -0.735 . . . . 0.0 109.446 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.55 3.23 11.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.446 -0.784 . . . . 0.0 110.122 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 22.1 ttpt -108.8 1.29 20.87 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.229 -0.919 . . . . 0.0 110.463 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.561 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -120.2 110.15 36.41 Favored Pre-proline 0 N--CA 1.491 1.582 0 O-C-N 121.112 -0.993 . . . . 0.0 110.044 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.54 ' HD2' HD13 ' A' ' 8' ' ' ILE . 51.2 Cg_endo -83.02 -9.06 10.82 Favored 'Trans proline' 0 C--N 1.307 -1.626 0 O-C-N 123.757 1.399 . . . . 0.0 110.635 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.557 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 9.4 mtpp -80.63 -8.04 59.49 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.199 -0.938 . . . . 0.0 110.528 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.532 ' HB2' ' CG2' ' A' ' 8' ' ' ILE . 14.0 t80 -68.68 -56.05 9.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.337 -0.852 . . . . 0.0 110.14 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.65 -5.26 59.3 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.376 0.608 . . . . 0.0 109.914 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.65 -17.5 55.9 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.39 -0.819 . . . . 0.0 109.894 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -85.38 -24.08 27.71 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.473 -0.767 . . . . 0.0 109.794 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.76 -24.46 41.51 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.723 0.773 . . . . 0.0 109.478 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -85.58 -19.96 30.28 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.619 0.723 . . . . 0.0 109.562 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -85.56 -92.37 0.09 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.671 -0.643 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -129.41 45.78 2.74 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.469 -0.769 . . . . 0.0 110.189 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.878 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.326 0.584 . . . . 0.0 109.967 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 19.8 t-105 -165.49 -32.0 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.334 -0.854 . . . . 0.0 110.547 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 6' ' ' LYS . 2.0 mptt -96.07 45.87 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.124 -0.985 . . . . 0.0 110.981 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 5' ' ' PHE . 1.1 pp -61.51 -21.58 64.35 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.904 -1.122 . . . . 0.0 109.078 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.458 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 1.1 t80 -75.78 -5.61 46.63 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.549 0.69 . . . . 0.0 109.236 178.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.405 ' HB3' ' HB3' ' A' ' 3' ' ' LYS . 5.7 ttpt -122.86 -15.16 7.48 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.539 -0.725 . . . . 0.0 110.742 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.482 ' CD ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -70.51 -15.92 62.84 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.19 -0.944 . . . . 0.0 109.398 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.936 HG22 ' H ' ' A' ' 10' ' ' LYS . 67.8 mt -103.01 141.21 22.02 Favored Pre-proline 0 C--N 1.299 -1.613 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 8' ' ' ILE . 42.3 Cg_endo -68.54 3.28 2.29 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 O-C-N 123.773 1.407 . . . . 0.0 111.581 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.936 ' H ' HG22 ' A' ' 8' ' ' ILE . 64.3 mmtt -70.08 -12.45 61.61 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.716 -1.24 . . . . 0.0 110.159 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.589 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 2.3 p90 -72.45 -24.29 61.18 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 119.412 -0.915 . . . . 0.0 109.045 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 1.1 tt -84.73 -37.44 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 121.673 0.749 . . . . 0.0 109.625 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -73.27 -27.03 61.33 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.864 0.84 . . . . 0.0 109.057 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.5 p -85.68 -21.44 28.34 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.586 0.707 . . . . 0.0 109.721 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.27 -43.73 66.63 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.808 0.813 . . . . 0.0 109.415 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -13.1 60.58 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-O 121.609 0.719 . . . . 0.0 109.387 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' O ' ' HD2' ' A' ' 17' ' ' LYS . 0.7 OUTLIER -85.73 -6.7 59.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.572 -0.705 . . . . 0.0 110.027 179.473 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -86.49 -21.52 26.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.423 -0.798 . . . . 0.0 110.194 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.848 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.23 0.538 . . . . 0.0 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -144.22 -143.49 0.14 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.224 -0.923 . . . . 0.0 110.179 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' O ' ' CD ' ' A' ' 7' ' ' LYS . 6.2 mmtt -81.79 -10.37 59.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 0.0 110.19 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 7.0 mt -85.03 -27.21 26.54 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.276 -0.89 . . . . 0.0 109.735 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.49 -2.18 27.66 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.515 0.674 . . . . 0.0 109.486 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.4 -21.43 5.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.48 -0.762 . . . . 0.0 110.502 -179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -104.84 8.29 34.73 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.363 -0.836 . . . . 0.0 110.551 -179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 4' ' ' LEU . 50.5 mm -117.94 90.01 35.73 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.186 -0.946 . . . . 0.0 110.124 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 52.5 Cg_endo -79.23 44.48 1.7 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 123.896 1.472 . . . . 0.0 110.459 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.76 -1.7 26.26 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.036 -1.04 . . . . 0.0 110.025 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -71.82 -51.22 23.61 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.429 -0.794 . . . . 0.0 109.464 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.95 -25.68 25.93 Favored 'General case' 0 C--N 1.294 -1.844 0 CA-C-O 121.662 0.744 . . . . 0.0 109.801 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.499 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -61.98 -31.76 72.15 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.78 0.8 . . . . 0.0 109.719 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.55 -19.42 55.74 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.577 0.704 . . . . 0.0 109.435 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 -17.28 54.92 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.643 0.735 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -31.73 22.05 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.634 0.73 . . . . 0.0 110.062 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.6 -0.35 52.96 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.684 -0.635 . . . . 0.0 110.575 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 1.2 t80 -102.91 51.99 0.79 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.23 -0.919 . . . . 0.0 110.131 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.957 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.4 mmtt . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.234 0.54 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -165.36 101.51 0.72 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.23 -0.919 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -155.59 13.19 0.34 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.009 -1.057 . . . . 0.0 110.953 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.805 HD12 HG13 ' A' ' 8' ' ' ILE . 2.2 pp -60.68 -17.51 48.16 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.737 -1.227 . . . . 0.0 109.264 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.579 ' HA ' HD12 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -58.08 -16.73 14.09 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.678 0.751 . . . . 0.0 109.631 179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -113.37 -4.68 13.61 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.71 -0.619 . . . . 0.0 110.187 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -124.88 6.53 8.04 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.336 -0.853 . . . . 0.0 110.108 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.805 HG13 HD12 ' A' ' 4' ' ' LEU . 2.1 mt -49.52 -60.78 4.33 Favored Pre-proline 0 N--CA 1.495 1.796 0 O-C-N 121.509 -0.744 . . . . 0.0 111.21 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.543 ' CD ' ' CB ' ' A' ' 8' ' ' ILE . 40.4 Cg_endo -65.76 -16.47 53.32 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 O-C-N 123.825 1.434 . . . . 0.0 111.524 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -83.12 -24.37 32.64 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.888 -1.133 . . . . 0.0 109.812 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.536 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 4.7 t80 -73.59 -29.84 62.65 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-O 121.635 0.731 . . . . 0.0 109.769 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 12' ' ' LEU . 17.7 tp -84.18 -21.38 31.3 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.862 0.839 . . . . 0.0 109.265 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -41.98 95.96 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-O 121.886 0.851 . . . . 0.0 109.279 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -85.91 -14.29 45.23 Favored 'General case' 0 C--N 1.295 -1.787 0 CA-C-O 121.4 0.619 . . . . 0.0 110.347 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.28 -27.11 59.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.282 -0.886 . . . . 0.0 109.358 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.8 -36.18 18.69 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.737 0.779 . . . . 0.0 109.916 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -84.96 2.47 42.79 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.807 -0.558 . . . . 0.0 110.094 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -140.1 10.21 2.35 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.327 -0.858 . . . . 0.0 110.304 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.644 ' CD1' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -91.44 151.89 20.62 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.251 -0.905 . . . . 0.0 110.095 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.4 mttp -88.62 -12.1 43.54 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.212 -0.93 . . . . 0.0 109.965 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.644 HD12 ' CD1' ' A' ' 2' ' ' TRP . 1.0 OUTLIER -76.36 -14.77 60.07 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.447 -0.783 . . . . 0.0 109.56 179.231 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -12.36 41.03 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-O 121.634 0.731 . . . . 0.0 109.79 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HG3' ' N ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -115.76 -19.4 10.5 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.561 0.696 . . . . 0.0 109.803 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -86.53 -9.09 56.9 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.542 -0.724 . . . . 0.0 109.703 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 80.9 mt -108.91 127.12 27.9 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.36 -0.837 . . . . 0.0 110.101 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.617 ' CB ' ' CE2' ' A' ' 11' ' ' PHE . 49.6 Cg_endo -78.52 84.95 1.92 Allowed 'Trans proline' 0 C--N 1.303 -1.834 0 O-C-N 124.013 1.533 . . . . 0.0 110.605 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -60.04 -23.7 63.93 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.279 -0.888 . . . . 0.0 109.654 179.733 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.617 ' CE2' ' CB ' ' A' ' 9' ' ' PRO . 21.8 p90 -70.25 -21.54 62.97 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.642 0.734 . . . . 0.0 109.691 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 tp -85.79 -17.98 34.25 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.586 -0.696 . . . . 0.0 110.182 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.3 t-80 -75.09 -45.76 39.19 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.723 0.773 . . . . 0.0 109.553 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.54 -17.63 61.18 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-O 121.679 0.752 . . . . 0.0 109.342 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.54 -12.16 58.9 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 -42.07 15.2 Favored 'General case' 0 N--CA 1.488 1.469 0 CA-C-O 121.757 0.789 . . . . 0.0 109.227 179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.62 -14.16 46.49 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.628 0.727 . . . . 0.0 109.833 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -108.85 -53.11 2.68 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.539 -0.726 . . . . 0.0 110.158 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 mttm . . . . . 0 N--CA 1.493 1.689 0 CA-C-O 121.098 0.475 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -126.15 13.39 7.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.162 -0.961 . . . . 0.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.07 63.59 1.56 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.166 -0.959 . . . . 0.0 110.474 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 4' ' ' LEU . 5.4 mp -82.52 -24.75 33.96 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 121.943 0.878 . . . . 0.0 108.991 178.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -4.91 51.16 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-O 121.52 0.676 . . . . 0.0 109.252 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -119.49 -11.78 9.43 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.564 -0.71 . . . . 0.0 110.031 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 7' ' ' LYS . 5.4 tttt -106.34 1.34 25.72 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.439 -0.788 . . . . 0.0 109.864 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 6.5 tp -68.41 131.67 91.65 Favored Pre-proline 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.764 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -75.24 111.77 3.39 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 O-C-N 124.004 1.528 . . . . 0.0 110.156 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -82.64 9.95 8.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.939 -1.101 . . . . 0.0 110.402 -179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 11' ' ' PHE . 0.1 OUTLIER -72.19 -70.78 0.32 Allowed 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.141 0.972 . . . . 0.0 109.325 179.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.6 HD12 ' C ' ' A' ' 12' ' ' LEU . 4.6 pp -85.46 -7.28 59.0 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.254 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.588 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 3.7 t-80 -74.8 -33.77 62.27 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.243 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -18.74 65.48 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.742 0.782 . . . . 0.0 109.311 179.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.4 -33.74 48.56 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.69 0.757 . . . . 0.0 109.462 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -83.44 -18.86 37.22 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.735 0.779 . . . . 0.0 109.57 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 17' ' ' LYS . 6.8 tttt -85.64 -12.97 50.04 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.591 -0.693 . . . . 0.0 109.933 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -46.3 -28.24 1.25 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.493 -0.754 . . . . 0.0 110.278 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.772 -1.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.144 0.497 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.41 ' C ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -88.86 -177.65 5.55 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.206 -0.934 . . . . 0.0 110.074 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -127.41 -52.14 1.38 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.2 -0.938 . . . . 0.0 110.741 -179.514 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -51.35 -23.5 3.76 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 121.548 -0.72 . . . . 0.0 110.407 -179.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.06 -3.4 29.17 Favored 'General case' 0 C--N 1.292 -1.933 0 O-C-N 121.541 -0.724 . . . . 0.0 109.612 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.22 -3.57 12.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.535 -0.728 . . . . 0.0 110.748 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.556 ' O ' ' CD2' ' A' ' 11' ' ' PHE . 6.9 ptmt -132.82 11.98 4.35 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.112 -0.992 . . . . 0.0 110.414 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 4' ' ' LEU . 6.3 mt -83.93 -56.26 0.44 Allowed Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.27 -0.894 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.598 ' HD3' ' HB ' ' A' ' 8' ' ' ILE . 53.3 Cg_endo -75.9 -41.99 0.47 Allowed 'Trans proline' 0 C--N 1.31 -1.494 0 O-C-N 123.473 1.249 . . . . 0.0 110.515 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' HIS . 2.3 tttt -65.76 -7.29 15.02 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.162 -0.961 . . . . 0.0 110.429 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' CD2' ' O ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -64.25 -43.3 95.32 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.376 -0.828 . . . . 0.0 110.022 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 12' ' ' LEU . 0.7 OUTLIER -83.14 -37.72 23.36 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-O 121.583 0.706 . . . . 0.0 110.255 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -50.12 -27.07 5.15 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-O 121.6 0.714 . . . . 0.0 110.097 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 18' ' ' PHE . 5.0 m -86.68 -29.29 22.58 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.636 -0.665 . . . . 0.0 110.756 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.46 -31.46 72.56 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.499 -0.751 . . . . 0.0 110.294 -179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.39 -41.53 14.4 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.778 0.799 . . . . 0.0 109.863 179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 1.28 50.3 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.301 0.572 . . . . 0.0 110.247 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.478 ' HB3' ' O ' ' A' ' 14' ' ' SER . 4.9 t80 -159.97 -73.85 0.07 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.859 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.431 ' HD3' ' HD2' ' A' ' 7' ' ' LYS . 4.5 mttm . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.326 0.584 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 1.3 t-105 -125.04 -40.15 2.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.29 -0.881 . . . . 0.0 109.936 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 2.4 tptt -93.07 44.37 1.14 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.204 -0.935 . . . . 0.0 109.542 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' C ' HD12 ' A' ' 4' ' ' LEU . 3.7 pp -71.02 -6.1 36.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -0.839 . . . . 0.0 110.608 -179.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -73.68 -5.9 43.43 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.34 -0.85 . . . . 0.0 110.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -130.16 -16.4 3.59 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.403 -0.811 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -122.55 34.65 5.09 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.241 -0.912 . . . . 0.0 109.871 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 8' ' ' ILE . 3.9 tt -53.54 122.26 31.22 Favored Pre-proline 0 N--CA 1.491 1.604 0 O-C-N 121.671 -0.643 . . . . 0.0 110.374 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -77.11 146.32 25.36 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 O-C-N 123.756 1.398 . . . . 0.0 110.436 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -55.38 -25.37 34.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.136 -0.978 . . . . 0.0 109.797 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.569 ' CD1' ' O ' ' A' ' 11' ' ' PHE . 2.7 t80 -64.62 -24.99 67.77 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.739 0.78 . . . . 0.0 109.517 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' O ' ' HD3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -85.93 -12.45 50.49 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.54 0.686 . . . . 0.0 109.365 178.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -74.36 -48.63 26.88 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-O 121.82 0.819 . . . . 0.0 109.361 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' PHE . 84.4 p -70.26 -13.35 62.13 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-O 121.512 0.672 . . . . 0.0 109.523 179.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.63 -30.5 46.49 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.805 0.812 . . . . 0.0 109.421 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -86.03 -31.87 21.76 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-O 121.942 0.877 . . . . 0.0 109.268 179.235 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.9 mmmt -86.19 12.9 8.78 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-O 121.341 0.591 . . . . 0.0 109.95 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' CG ' ' O ' ' A' ' 18' ' ' PHE . 35.5 t80 -112.81 56.98 0.66 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.343 -0.848 . . . . 0.0 110.21 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.964 -1.71 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.275 0.56 . . . . 0.0 110.268 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' LYS . 30.9 p90 -51.75 -174.2 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.189 -0.944 . . . . 0.0 110.066 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 9.1 tptt -158.67 -47.74 0.06 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.164 -0.96 . . . . 0.0 110.555 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.547 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 0.8 OUTLIER -63.37 -13.4 39.05 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.529 0.68 . . . . 0.0 110.457 -179.686 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -84.61 -0.17 52.32 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 121.542 -0.724 . . . . 0.0 109.667 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -135.81 11.82 3.4 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.636 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.547 ' HG2' ' HA ' ' A' ' 4' ' ' LEU . 3.3 ptmt -136.23 24.93 3.25 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.196 -0.94 . . . . 0.0 110.218 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 5.8 tp -114.41 35.6 0.17 Allowed Pre-proline 0 N--CA 1.492 1.632 0 O-C-N 121.333 -0.855 . . . . 0.0 111.795 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 8' ' ' ILE . 50.5 Cg_endo -75.57 -6.17 17.36 Favored 'Trans proline' 0 C--N 1.314 -1.256 0 O-C-N 123.116 1.061 . . . . 0.0 110.131 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -75.77 3.2 10.34 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.645 ' CG ' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -75.03 -60.96 2.06 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.112 -0.992 . . . . 0.0 109.736 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.706 HD12 ' C ' ' A' ' 12' ' ' LEU . 4.4 pp -85.78 -7.17 58.92 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.215 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 6.3 t60 -76.44 -60.73 2.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.96 0.885 . . . . 0.0 109.373 179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.1 p -75.1 -8.76 57.47 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.38 0.609 . . . . 0.0 109.79 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 11' ' ' PHE . . . -78.75 -27.48 44.72 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.344 -0.848 . . . . 0.0 109.519 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -24.34 27.23 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.713 0.768 . . . . 0.0 109.629 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -85.34 1.33 48.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.713 -0.617 . . . . 0.0 109.979 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.82 23.97 11.12 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.34 -0.85 . . . . 0.0 110.071 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -164.44 55.79 0.14 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.224 -0.923 . . . . 0.0 110.272 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -114.21 -2.19 13.45 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.535 ' HA ' ' CG ' ' A' ' 7' ' ' LYS . 1.6 mp -73.77 -19.33 60.8 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.226 -0.921 . . . . 0.0 110.21 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -8.5 44.11 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 119.905 -0.718 . . . . 0.0 109.252 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -112.38 -10.43 13.77 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.577 -0.702 . . . . 0.0 110.18 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' CG ' ' HA ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -127.72 28.22 5.65 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.393 -0.817 . . . . 0.0 109.958 179.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.466 HG13 ' HB3' ' A' ' 4' ' ' LEU . 25.7 mm -131.49 132.51 23.55 Favored Pre-proline 0 N--CA 1.491 1.611 0 O-C-N 121.616 -0.677 . . . . 0.0 109.984 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' HIS . 46.3 Cg_endo -73.51 -159.99 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 O-C-N 123.871 1.458 . . . . 0.0 110.523 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HA ' ' CB ' ' A' ' 13' ' ' HIS . 13.2 tttt -76.88 2.99 13.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.287 -0.883 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -66.78 -61.19 2.08 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.219 -0.926 . . . . 0.0 109.574 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' CB ' HG21 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -86.02 -10.54 54.86 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.508 0.67 . . . . 0.0 109.982 179.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.499 ' CB ' ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -64.89 -38.1 89.83 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 121.657 0.741 . . . . 0.0 110.136 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.03 -0.84 50.79 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.568 -0.708 . . . . 0.0 109.957 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.08 -52.76 7.04 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.337 -0.852 . . . . 0.0 109.694 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.88 -16.69 60.66 Favored 'General case' 0 C--N 1.294 -1.805 0 CA-C-O 121.511 0.672 . . . . 0.0 109.848 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 13' ' ' HIS . 0.4 OUTLIER -85.47 -89.52 0.11 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.473 -0.767 . . . . 0.0 110.338 179.756 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -146.83 -59.7 0.29 Allowed 'General case' 0 C--N 1.298 -1.666 0 O-C-N 121.364 -0.835 . . . . 0.0 110.442 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.398 0 O-C-N 119.795 -1.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_