data_1fex_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 1fex _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 core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.972 0.415 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.427 ' CB ' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.499 2.009 0 CA-C-O 121.2 0.524 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE2' ' HA ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.437 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.427 ' NE2' ' CB ' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.35 0.595 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 . . . . . 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 121.126 0.488 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' THR . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 27' ' ' VAL . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 . . . . . 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.243 0.544 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.444 HD12 HG21 ' A' ' 13' ' ' ILE . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.433 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.9 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.254 0.55 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.421 ' HE3' ' CD1' ' A' ' 16' ' ' TYR . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.419 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.432 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.126 0.488 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? . . . . . 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 121.025 0.44 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 21' ' ' ALA . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.417 ' CE3' HD11 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.979 0.419 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.412 ' CZ3' HG22 ' A' ' 17' ' ' VAL . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.416 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 27' ' ' VAL . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.419 0.628 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' CH2' ' A' ' 33' ' ' TRP . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.425 ' CH2' HG23 ' A' ' 17' ' ' VAL . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.42 ' HE3' ' CD2' ' A' ' 16' ' ' TYR . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.303 0.573 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 ' CH2' ' A' ' 33' ' ' TRP . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.426 ' HE3' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.405 ' CB ' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.501 2.116 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.11 0.481 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 13' ' ' ILE . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.424 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.08 0.467 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 53' ' ' TYR . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 21' ' ' ALA . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.421 ' CE1' HG13 ' A' ' 17' ' ' VAL . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 53' ' ' TYR . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE1' HG11 ' A' ' 17' ' ' VAL . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.18 0.514 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' CH2' ' A' ' 33' ' ' TRP . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.418 ' CH2' HG23 ' A' ' 17' ' ' VAL . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 2.4 m-70 -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 . . . . . 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.236 0.541 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 5' ' ' PHE . 1.2 m-70 -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 121.11 0.481 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 53' ' ' TYR . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 17' ' ' VAL . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.212 0.529 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HD11 ' A' ' 13' ' ' ILE . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 m-70 -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 53' ' ' TYR . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE1' HG13 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.096 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 28' ' ' THR . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 27' ' ' VAL . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.0 mtt85 -103.32 64.14 0.82 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.487 -1.008 . . . . 0.0 110.219 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 tt 46.31 -169.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.681 -0.637 . . . . 0.0 111.315 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.51 157.23 47.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.196 -0.94 . . . . 0.0 110.315 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.415 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.91 -51.5 64.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.496 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.79 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.42 ' C ' HG13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -157.93 -157.44 0.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.615 -0.933 . . . . 0.0 109.589 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 2' ' ' ARG . 2.2 pp 38.58 -172.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.427 ' CB ' ' NE2' ' A' ' 44' ' ' HIS . . . 47.06 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.6 -0.688 . . . . 0.0 111.573 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE2' ' HA ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.437 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.427 ' NE2' ' CB ' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.401 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -86.98 -56.32 3.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.03 173.14 2.52 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.557 -0.967 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.405 HD11 ' CE1' ' A' ' 44' ' ' HIS . 14.0 tt -62.17 154.08 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.523 -0.735 . . . . 0.0 109.705 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.59 161.16 13.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.501 -0.749 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.405 ' CE1' HD11 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -58.69 105.46 0.31 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 CA-C-O 117.909 -1.495 . . . . 0.0 109.603 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.13 -178.49 3.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.556 -0.967 . . . . 0.0 110.284 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -121.89 30.92 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 0.0 109.877 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.14 -166.94 0.06 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.319 -0.863 . . . . 0.0 110.751 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' THR . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.407 ' N ' HG23 ' A' ' 27' ' ' VAL . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 51.44 57.4 6.63 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.615 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -164.33 1.03 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.603 -0.939 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 5' ' ' PHE . 5.9 mm -58.93 126.01 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.627 -0.67 . . . . 0.0 109.773 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.56 79.25 1.07 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.672 . . . . 0.0 109.888 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' CG2' ' A' ' 3' ' ' ILE . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 HD12 HG21 ' A' ' 13' ' ' ILE . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.433 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.9 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.79 -177.84 3.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.907 -1.496 . . . . 0.0 109.495 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -91.77 -168.34 2.0 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.961 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.415 HG21 ' CE1' ' A' ' 44' ' ' HIS . 6.4 tt -61.04 157.64 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.613 -0.679 . . . . 0.0 110.096 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.96 177.26 6.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.434 -0.791 . . . . 0.0 110.445 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.421 ' HE3' ' CD1' ' A' ' 16' ' ' TYR . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CE1' HG21 ' A' ' 3' ' ' ILE . 2.1 m-70 -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.419 ' CD1' ' HD3' ' A' ' 34' ' ' LYS . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.432 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 49.56 -171.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -161.47 0.1 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.598 -0.942 . . . . 0.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.89 -170.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 169.81 17.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.544 -0.722 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -56.09 173.61 0.15 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.599 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.45 142.97 58.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.543 -0.975 . . . . 0.0 110.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 HG13 ' CE1' ' A' ' 44' ' ' HIS . 1.2 pp -131.47 42.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.503 -0.748 . . . . 0.0 110.29 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.16 -169.61 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.369 -0.832 . . . . 0.0 110.681 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' N ' HD23 ' A' ' 32' ' ' LEU . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 21' ' ' ALA . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.417 ' CE3' HD11 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CE1' HG13 ' A' ' 3' ' ' ILE . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD11 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -100.76 125.93 47.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.605 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.737 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 53.08 85.58 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.479 -1.012 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.72 69.56 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 110.003 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.07 173.07 10.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 110.013 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG22 ' CZ3' ' A' ' 33' ' ' TRP . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.411 HG12 ' CE2' ' A' ' 53' ' ' TYR . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.412 ' CZ3' HG22 ' A' ' 17' ' ' VAL . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.416 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 27' ' ' VAL . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.16 68.68 0.78 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -110.05 -171.5 1.85 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.568 -0.96 . . . . 0.0 110.124 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' HB ' ' CE1' ' A' ' 44' ' ' HIS . 75.6 mt -130.65 168.58 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.556 -0.715 . . . . 0.0 109.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.05 157.25 10.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 111.185 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG23 ' CH2' ' A' ' 33' ' ' TRP . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.425 ' CH2' HG23 ' A' ' 17' ' ' VAL . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.42 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CE1' ' HB ' ' A' ' 3' ' ' ILE . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 52.22 26.82 4.2 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.779 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 53.95 176.27 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.462 -1.023 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.458 ' CG2' ' CE1' ' A' ' 44' ' ' HIS . 14.0 tt -67.34 162.11 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.512 -0.743 . . . . 0.0 109.722 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.95 -173.23 3.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.514 -0.742 . . . . 0.0 110.68 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.42 ' CD2' ' HE3' ' A' ' 36' ' ' MET . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.42 ' HE3' ' CD2' ' A' ' 16' ' ' TYR . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CE1' ' CG2' ' A' ' 3' ' ' ILE . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 45' ' ' SER . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 85.94 7.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 54.1 174.78 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.492 -1.004 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 HG22 ' CE1' ' A' ' 44' ' ' HIS . 16.1 tt -62.57 164.49 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.581 -0.699 . . . . 0.0 110.339 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.87 -161.75 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.533 -0.729 . . . . 0.0 109.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.441 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 164.85 0.8 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 CA-C-O 117.879 -1.512 . . . . 0.0 109.41 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.91 170.04 23.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.98 . . . . 0.0 110.258 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.97 -160.55 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.549 -0.72 . . . . 0.0 109.935 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.43 178.03 6.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.536 -0.727 . . . . 0.0 110.642 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' CD1' ' HE3' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 ' CH2' ' A' ' 33' ' ' TRP . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.429 ' CZ3' HD11 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.426 ' HE3' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.71 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.57 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 53.82 85.39 0.05 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.447 -1.031 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.469 HD13 HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.4 118.82 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 110.229 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.405 ' CB ' ' NE2' ' A' ' 44' ' ' HIS . . . 47.84 26.4 0.91 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.573 -0.704 . . . . 0.0 112.042 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.493 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 51.67 30.03 6.29 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 52.44 -176.19 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.46 -1.023 . . . . 0.0 110.658 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' CG2' ' CE1' ' A' ' 44' ' ' HIS . 79.1 mt -84.3 167.28 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.489 -0.757 . . . . 0.0 110.034 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.59 -178.07 6.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.631 -0.668 . . . . 0.0 110.2 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 13' ' ' ILE . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.424 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.69 166.74 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 117.964 -1.465 . . . . 0.0 109.663 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -88.0 104.6 16.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.947 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.7 tp -100.84 67.15 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 110.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 -178.26 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.033 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG13 ' CE1' ' A' ' 53' ' ' TYR . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' N ' HD22 ' A' ' 32' ' ' LEU . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 21' ' ' ALA . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.426 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.421 ' CE1' HG13 ' A' ' 17' ' ' VAL . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 94.86 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 CA-C-O 118.053 -1.415 . . . . 0.0 109.677 179.653 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 177.09 8.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.59 -0.947 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.461 HD12 HG21 ' A' ' 3' ' ' ILE . 87.7 mt -97.2 167.26 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.654 -0.654 . . . . 0.0 109.844 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.09 -177.01 5.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.681 -0.637 . . . . 0.0 110.393 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.432 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 HG11 ' CE1' ' A' ' 53' ' ' TYR . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.432 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE1' HG11 ' A' ' 17' ' ' VAL . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -53.92 -38.56 65.01 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.521 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.53 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 121.32 8.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.569 -0.959 . . . . 0.0 110.472 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.424 HG23 ' CE1' ' A' ' 44' ' ' HIS . 18.5 tt -69.73 168.91 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.481 -0.762 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.34 -160.13 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.476 -0.765 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.418 HG23 ' CH2' ' A' ' 33' ' ' TRP . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.418 ' CH2' HG23 ' A' ' 17' ' ' VAL . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 2.4 m-70 -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 50.89 -176.58 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.422 0 CA-C-O 117.934 -1.481 . . . . 0.0 109.499 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -101.95 -174.62 2.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.451 -1.029 . . . . 0.0 110.328 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.443 HD12 HG22 ' A' ' 3' ' ' ILE . 92.4 mt -85.8 167.75 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.02 -166.7 1.54 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.746 -0.596 . . . . 0.0 110.104 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.35 92.94 4.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -115.07 75.31 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.651 -0.911 . . . . 0.0 110.311 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HG21 ' CE1' ' A' ' 44' ' ' HIS . 2.1 tt 46.73 -175.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 122.041 -0.412 . . . . 0.0 111.367 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.23 156.67 43.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.12 -0.987 . . . . 0.0 110.495 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 3' ' ' ILE . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 109.96 1.12 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.574 -179.92 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -99.3 147.8 24.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.927 . . . . 0.0 110.092 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.429 HG23 ' CE1' ' A' ' 44' ' ' HIS . 14.5 tt -69.96 150.47 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.579 -0.7 . . . . 0.0 110.057 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.57 -179.22 3.95 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.641 -0.662 . . . . 0.0 110.474 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.406 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.406 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' CE1' HG23 ' A' ' 3' ' ' ILE . 1.2 m-70 -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 51.54 -172.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 126.38 6.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.448 -1.03 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.43 HD12 ' CE1' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -133.83 61.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.701 -0.624 . . . . 0.0 109.659 179.498 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.41 -179.09 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.43 -0.794 . . . . 0.0 110.617 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.427 HG13 ' CE1' ' A' ' 53' ' ' TYR . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' HD12 ' A' ' 3' ' ' ILE . 2.1 m-70 -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.427 ' CE1' HG13 ' A' ' 17' ' ' VAL . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -56.26 -27.33 54.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.947 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.44 168.59 19.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.644 -0.915 . . . . 0.0 110.284 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -129.08 37.33 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.56 -0.713 . . . . 0.0 109.696 179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.23 179.36 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.465 -0.772 . . . . 0.0 110.999 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HD11 ' A' ' 13' ' ' ILE . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 m-70 -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.414 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.414 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.438 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -71.12 167.92 18.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.504 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.963 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.54 135.4 51.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.932 . . . . 0.0 110.196 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 11.3 tp -101.86 30.5 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.582 -0.699 . . . . 0.0 109.864 179.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.08 -174.86 2.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.496 -0.753 . . . . 0.0 109.939 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 53' ' ' TYR . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.402 ' N ' ' CD2' ' A' ' 32' ' ' LEU . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 21' ' ' ALA . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.415 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CE1' HG13 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 97.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.583 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 148.53 28.51 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.492 -1.005 . . . . 0.0 110.403 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.91 35.36 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.392 -0.818 . . . . 0.0 109.988 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.18 -169.21 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.277 -0.889 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 28' ' ' THR . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.402 ' N ' HG23 ' A' ' 27' ' ' VAL . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.427 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 79.8 2.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.502 -179.789 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.972 0.415 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.693 HG23 HD11 ' A' ' 49' ' ' LEU . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 18' ' ' LYS . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.69 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 14' ' ' LEU . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 32' ' ' LEU . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.75 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.46 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD11 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 53' ' ' TYR . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.499 2.009 0 CA-C-O 121.2 0.524 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' ILE . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.897 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' HD22 ' A' ' 32' ' ' LEU . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.897 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 49' ' ' LEU . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' LEU . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 49' ' ' LEU . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.63 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.607 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' HA ' HD21 ' A' ' 49' ' ' LEU . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.35 0.595 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ILE . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.715 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.934 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.934 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 44' ' ' HIS . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.72 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 53' ' ' TYR . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 . . . . . 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 121.126 0.488 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 9' ' ' ASP . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.476 ' H ' HG23 ' A' ' 6' ' ' THR . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' ASP . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ILE . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.806 ' CB ' HD21 ' A' ' 32' ' ' LEU . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.826 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.406 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 41' ' ' LEU . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 57' ' ' LEU . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 53' ' ' TYR . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 . . . . . 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.243 0.544 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ASP . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 13' ' ' ILE . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.786 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 28' ' ' THR . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.754 ' HE3' HD12 ' A' ' 49' ' ' LEU . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 41' ' ' LEU . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.787 ' N ' HD13 ' A' ' 41' ' ' LEU . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 9.1 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 53' ' ' TYR . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.254 0.55 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' VAL . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ILE . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.817 ' CB ' HD11 ' A' ' 32' ' ' LEU . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.547 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' CB ' ' A' ' 20' ' ' ASN . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.445 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' HD11 ' A' ' 49' ' ' LEU . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.806 ' N ' HD13 ' A' ' 41' ' ' LEU . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CH2' ' ND2' ' A' ' 30' ' ' ASN . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD11 ' HE1' ' A' ' 36' ' ' MET . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 57' ' ' LEU . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.126 0.488 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CG ' ' HG3' ' A' ' 36' ' ' MET . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.76 ' HB2' HD21 ' A' ' 32' ' ' LEU . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.769 ' OG ' HD13 ' A' ' 32' ' ' LEU . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.645 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 49' ' ' LEU . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 42' ' ' THR . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.568 ' N ' HD23 ' A' ' 41' ' ' LEU . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 57' ' ' LEU . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 53' ' ' TYR . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? . . . . . 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 121.025 0.44 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 49' ' ' LEU . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.795 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.831 ' HB2' HD21 ' A' ' 32' ' ' LEU . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' HD22 ' A' ' 32' ' ' LEU . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 27' ' ' VAL . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 ' HB2' ' A' ' 20' ' ' ASN . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.819 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.819 HD12 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 33' ' ' TRP . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 57' ' ' LEU . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 52' ' ' ARG . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.979 0.419 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' ASP . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 17' ' ' VAL . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 13' ' ' ILE . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.903 ' HB3' HD11 ' A' ' 32' ' ' LEU . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.78 ' OG ' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.68 ' HE3' HD12 ' A' ' 49' ' ' LEU . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 49' ' ' LEU . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 36' ' ' MET . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.764 ' HA ' HD12 ' A' ' 57' ' ' LEU . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 53' ' ' TYR . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.419 0.628 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 49' ' ' LEU . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.886 ' CB ' HD21 ' A' ' 32' ' ' LEU . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.682 ' OG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 21' ' ' ALA . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 49' ' ' LEU . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 13' ' ' ILE . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 41' ' ' LEU . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' HD22 ' A' ' 41' ' ' LEU . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.67 ' HB3' HD11 ' A' ' 32' ' ' LEU . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.749 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.731 ' HB2' HD22 ' A' ' 32' ' ' LEU . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 27' ' ' VAL . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.749 HD21 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HB2' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' TRP . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 53' ' ' TYR . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' ' 15' ' ' THR . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.757 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 28' ' ' THR . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.668 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.668 HD21 ' CE ' ' A' ' 36' ' ' MET . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.303 0.573 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' OE2' ' A' ' 19' ' ' GLU . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.787 ' OE2' HG22 ' A' ' 15' ' ' THR . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.925 ' HB3' HD11 ' A' ' 32' ' ' LEU . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB2' HD22 ' A' ' 32' ' ' LEU . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 28' ' ' THR . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 HG23 ' A' ' 27' ' ' VAL . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 20' ' ' ASN . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.476 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 46' ' ' TRP . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 54' ' ' LEU . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD12 ' HD3' ' A' ' 50' ' ' LYS . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 53' ' ' TYR . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.572 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.501 2.116 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 49' ' ' LEU . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 19' ' ' GLU . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HG3' HG22 ' A' ' 15' ' ' THR . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.811 ' CB ' HD11 ' A' ' 32' ' ' LEU . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.705 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 36' ' ' MET . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD11 ' NH1' ' A' ' 52' ' ' ARG . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.11 0.481 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 11' ' ' VAL . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 7' ' ' ASP . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG23 HD11 ' A' ' 49' ' ' LEU . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.919 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 ' HB3' ' A' ' 20' ' ' ASN . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.595 ' CE ' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD21 ' CE ' ' A' ' 36' ' ' MET . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 57' ' ' LEU . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.636 HD23 ' HD3' ' A' ' 58' ' ' ARG . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 53' ' ' TYR . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.636 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.08 0.467 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.817 ' HB3' HD11 ' A' ' 32' ' ' LEU . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.754 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 20' ' ' ASN . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.534 HG22 ' H ' ' A' ' 43' ' ' GLN . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.534 ' H ' HG22 ' A' ' 42' ' ' THR . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 44' ' ' HIS . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 13' ' ' ILE . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 49' ' ' LEU . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.934 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.775 ' CB ' HD13 ' A' ' 32' ' ' LEU . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 13' ' ' ILE . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' HD12 ' A' ' 57' ' ' LEU . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 53' ' ' TYR . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.18 0.514 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.733 ' HB2' HD21 ' A' ' 32' ' ' LEU . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.514 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 44' ' ' HIS . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.623 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 57' ' ' LEU . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD11 ' NE ' ' A' ' 52' ' ' ARG . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 . . . . . 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG21 ' CH2' ' A' ' 33' ' ' TRP . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.853 ' CB ' HD21 ' A' ' 32' ' ' LEU . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 32' ' ' LEU . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 27' ' ' VAL . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.479 ' CH2' HG21 ' A' ' 17' ' ' VAL . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' LEU . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 53' ' ' TYR . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HE3' ' A' ' 36' ' ' MET . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.815 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.794 ' HB3' HD13 ' A' ' 32' ' ' LEU . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.694 ' HE3' HD12 ' A' ' 49' ' ' LEU . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.752 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 ' HG2' ' A' ' 36' ' ' MET . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 57' ' ' LEU . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' N ' HD12 ' A' ' 54' ' ' LEU . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.236 0.541 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.573 HG12 HD22 ' A' ' 49' ' ' LEU . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.705 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.807 ' HB2' HD21 ' A' ' 32' ' ' LEU . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' HG21 ' A' ' 17' ' ' VAL . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 43' ' ' GLN . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' HG2' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 5' ' ' PHE . 1.2 m-70 -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' LEU . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD22 HG12 ' A' ' 13' ' ' ILE . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 121.11 0.481 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' H ' HG22 ' A' ' 6' ' ' THR . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CG2' HD11 ' A' ' 49' ' ' LEU . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.762 ' CB ' HD11 ' A' ' 32' ' ' LEU . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.053 ' HB1' HG12 ' A' ' 27' ' ' VAL . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' HD13 ' A' ' 32' ' ' LEU . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 1.053 HG12 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 9' ' ' ASP . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD11 ' CG2' ' A' ' 13' ' ' ILE . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' HA ' HD12 ' A' ' 57' ' ' LEU . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.212 0.529 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.4 ' CZ ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 9' ' ' ASP . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.539 ' CG ' HG21 ' A' ' 42' ' ' THR . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' ASP . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 19' ' ' GLU . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ILE . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE2' HG22 ' A' ' 15' ' ' THR . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.786 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.6 m120 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.539 HG21 ' CG ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.4 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 52' ' ' ARG . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.416 ' OD1' HG21 ' A' ' 42' ' ' THR . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' THR . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.556 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.822 ' HB3' HD22 ' A' ' 32' ' ' LEU . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.714 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.478 ' CE ' HD13 ' A' ' 49' ' ' LEU . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' H ' HG22 ' A' ' 42' ' ' THR . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD13 ' CE ' ' A' ' 36' ' ' MET . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.096 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 7' ' ' ASP . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 17' ' ' VAL . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 13' ' ' ILE . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' A' ' 32' ' ' LEU . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.665 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.503 ' CH2' HG21 ' A' ' 17' ' ' VAL . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' TYR . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.662 ' O ' HG22 ' A' ' 3' ' ' ILE . 19.0 mtt85 -103.32 64.14 0.82 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.487 -1.008 . . . . 0.0 110.219 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 2' ' ' ARG . 2.1 tt 46.31 -169.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.681 -0.637 . . . . 0.0 111.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.51 157.23 47.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.196 -0.94 . . . . 0.0 110.315 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.693 HG23 HD11 ' A' ' 49' ' ' LEU . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 18' ' ' LYS . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.69 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 14' ' ' LEU . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 32' ' ' LEU . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.75 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.46 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD11 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 53' ' ' TYR . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.91 -51.5 64.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.496 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.79 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' C ' HG13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -157.93 -157.44 0.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.615 -0.933 . . . . 0.0 109.589 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.2 pp 38.58 -172.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . 47.06 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.6 -0.688 . . . . 0.0 111.573 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' ILE . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.897 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' HD22 ' A' ' 32' ' ' LEU . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.897 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 49' ' ' LEU . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' LEU . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 49' ' ' LEU . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.63 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.607 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' HA ' HD21 ' A' ' 49' ' ' LEU . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -86.98 -56.32 3.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.03 173.14 2.52 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.557 -0.967 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 14.0 tt -62.17 154.08 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.523 -0.735 . . . . 0.0 109.705 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.59 161.16 13.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.501 -0.749 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ILE . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.715 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.934 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.934 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.463 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 44' ' ' HIS . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.72 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 53' ' ' TYR . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -58.69 105.46 0.31 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 CA-C-O 117.909 -1.495 . . . . 0.0 109.603 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.13 -178.49 3.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.556 -0.967 . . . . 0.0 110.284 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.8 mp -121.89 30.92 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 0.0 109.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.14 -166.94 0.06 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.319 -0.863 . . . . 0.0 110.751 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 9' ' ' ASP . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.476 ' H ' HG23 ' A' ' 6' ' ' THR . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' ASP . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ILE . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.806 ' CB ' HD21 ' A' ' 32' ' ' LEU . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.826 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.406 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 41' ' ' LEU . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 57' ' ' LEU . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 53' ' ' TYR . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 51.44 57.4 6.63 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.615 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -164.33 1.03 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.603 -0.939 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 5' ' ' PHE . 5.9 mm -58.93 126.01 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.627 -0.67 . . . . 0.0 109.773 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.56 79.25 1.07 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.672 . . . . 0.0 109.888 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' CG2' ' A' ' 3' ' ' ILE . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ASP . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 13' ' ' ILE . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.786 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 28' ' ' THR . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.754 ' HE3' HD12 ' A' ' 49' ' ' LEU . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 41' ' ' LEU . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.787 ' N ' HD13 ' A' ' 41' ' ' LEU . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' CE1' HG23 ' A' ' 3' ' ' ILE . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 9.1 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 3' ' ' ILE . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 53' ' ' TYR . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.79 -177.84 3.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.907 -1.496 . . . . 0.0 109.495 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -91.77 -168.34 2.0 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.961 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.4 tt -61.04 157.64 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.613 -0.679 . . . . 0.0 110.096 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.96 177.26 6.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.434 -0.791 . . . . 0.0 110.445 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' VAL . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ILE . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.817 ' CB ' HD11 ' A' ' 32' ' ' LEU . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.547 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' CB ' ' A' ' 20' ' ' ASN . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.445 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' HD11 ' A' ' 49' ' ' LEU . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.806 ' N ' HD13 ' A' ' 41' ' ' LEU . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CH2' ' ND2' ' A' ' 30' ' ' ASN . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD11 ' HE1' ' A' ' 36' ' ' MET . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 57' ' ' LEU . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 49.56 -171.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -161.47 0.1 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.598 -0.942 . . . . 0.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.89 -170.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 169.81 17.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.544 -0.722 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CG ' ' HG3' ' A' ' 36' ' ' MET . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.76 ' HB2' HD21 ' A' ' 32' ' ' LEU . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.769 ' OG ' HD13 ' A' ' 32' ' ' LEU . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.645 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 49' ' ' LEU . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 42' ' ' THR . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.568 ' N ' HD23 ' A' ' 41' ' ' LEU . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 57' ' ' LEU . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 53' ' ' TYR . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -56.09 173.61 0.15 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.599 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.45 142.97 58.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.543 -0.975 . . . . 0.0 110.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.428 HG13 ' CE1' ' A' ' 44' ' ' HIS . 1.2 pp -131.47 42.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.503 -0.748 . . . . 0.0 110.29 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.16 -169.61 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.369 -0.832 . . . . 0.0 110.681 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 49' ' ' LEU . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.795 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.831 ' HB2' HD21 ' A' ' 32' ' ' LEU . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' HD22 ' A' ' 32' ' ' LEU . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 27' ' ' VAL . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 ' HB2' ' A' ' 20' ' ' ASN . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.819 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CE1' HG13 ' A' ' 3' ' ' ILE . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.819 HD12 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 33' ' ' TRP . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 57' ' ' LEU . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 52' ' ' ARG . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -100.76 125.93 47.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.605 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.737 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 53.08 85.58 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.479 -1.012 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' ILE . 8.2 tp -70.72 69.56 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.07 173.07 10.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 110.013 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' ASP . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 17' ' ' VAL . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 13' ' ' ILE . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.903 ' HB3' HD11 ' A' ' 32' ' ' LEU . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.78 ' OG ' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.68 ' HE3' HD12 ' A' ' 49' ' ' LEU . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 49' ' ' LEU . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 36' ' ' MET . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.764 ' HA ' HD12 ' A' ' 57' ' ' LEU . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 53' ' ' TYR . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.16 68.68 0.78 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -110.05 -171.5 1.85 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.568 -0.96 . . . . 0.0 110.124 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 4' ' ' ALA . 75.6 mt -130.65 168.58 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.556 -0.715 . . . . 0.0 109.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -59.05 157.25 10.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 111.185 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 49' ' ' LEU . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.886 ' CB ' HD21 ' A' ' 32' ' ' LEU . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.682 ' OG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 21' ' ' ALA . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CE1' ' HB ' ' A' ' 3' ' ' ILE . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 13' ' ' ILE . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 52.22 26.82 4.2 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.779 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 53.95 176.27 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.462 -1.023 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.468 HG23 ' CE1' ' A' ' 44' ' ' HIS . 14.0 tt -67.34 162.11 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.512 -0.743 . . . . 0.0 109.722 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.95 -173.23 3.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.514 -0.742 . . . . 0.0 110.68 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 41' ' ' LEU . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' HD22 ' A' ' 41' ' ' LEU . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.67 ' HB3' HD11 ' A' ' 32' ' ' LEU . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.749 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.731 ' HB2' HD22 ' A' ' 32' ' ' LEU . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 27' ' ' VAL . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.749 HD21 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HB2' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' TRP . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 53' ' ' TYR . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 85.94 7.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 54.1 174.78 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.492 -1.004 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.57 164.49 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.581 -0.699 . . . . 0.0 110.339 -179.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.87 -161.75 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.533 -0.729 . . . . 0.0 109.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CZ ' ' CD2' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' ' 15' ' ' THR . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.757 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 28' ' ' THR . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.668 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.668 HD21 ' CE ' ' A' ' 36' ' ' MET . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 164.85 0.8 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 CA-C-O 117.879 -1.512 . . . . 0.0 109.41 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.91 170.04 23.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.98 . . . . 0.0 110.258 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.97 -160.55 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.549 -0.72 . . . . 0.0 109.935 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.43 178.03 6.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.536 -0.727 . . . . 0.0 110.642 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' OE2' ' A' ' 19' ' ' GLU . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.787 ' OE2' HG22 ' A' ' 15' ' ' THR . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.925 ' HB3' HD11 ' A' ' 32' ' ' LEU . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB2' HD22 ' A' ' 32' ' ' LEU . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 28' ' ' THR . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 HG23 ' A' ' 27' ' ' VAL . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 20' ' ' ASN . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.476 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 46' ' ' TRP . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 54' ' ' LEU . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD12 ' HD3' ' A' ' 50' ' ' LYS . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 53' ' ' TYR . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.71 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.57 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 53.82 85.39 0.05 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.447 -1.031 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.539 HD13 ' C ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.4 118.82 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 110.229 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.572 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . 47.84 26.4 0.91 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.573 -0.704 . . . . 0.0 112.042 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 49' ' ' LEU . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 19' ' ' GLU . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HG3' HG22 ' A' ' 15' ' ' THR . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.811 ' CB ' HD11 ' A' ' 32' ' ' LEU . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.705 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 36' ' ' MET . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD11 ' NH1' ' A' ' 52' ' ' ARG . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 51.67 30.03 6.29 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 52.44 -176.19 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.46 -1.023 . . . . 0.0 110.658 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 4' ' ' ALA . 79.1 mt -84.3 167.28 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.489 -0.757 . . . . 0.0 110.034 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -80.59 -178.07 6.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.631 -0.668 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CD2' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 11' ' ' VAL . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 7' ' ' ASP . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG23 HD11 ' A' ' 49' ' ' LEU . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.919 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 ' HB3' ' A' ' 20' ' ' ASN . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.595 ' CE ' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.5 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD21 ' CE ' ' A' ' 36' ' ' MET . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 57' ' ' LEU . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.636 HD23 ' HD3' ' A' ' 58' ' ' ARG . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 53' ' ' TYR . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.636 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.69 166.74 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 117.964 -1.465 . . . . 0.0 109.663 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -88.0 104.6 16.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.947 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 3' ' ' ILE . 8.7 tp -100.84 67.15 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 110.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 -178.26 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.033 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.817 ' HB3' HD11 ' A' ' 32' ' ' LEU . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.754 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 20' ' ' ASN . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.534 HG22 ' H ' ' A' ' 43' ' ' GLN . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.534 ' H ' HG22 ' A' ' 42' ' ' THR . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 44' ' ' HIS . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 94.86 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 CA-C-O 118.053 -1.415 . . . . 0.0 109.677 179.653 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 177.09 8.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.59 -0.947 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 4' ' ' ALA . 87.7 mt -97.2 167.26 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.654 -0.654 . . . . 0.0 109.844 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -89.09 -177.01 5.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.681 -0.637 . . . . 0.0 110.393 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 13' ' ' ILE . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 49' ' ' LEU . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.934 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.775 ' CB ' HD13 ' A' ' 32' ' ' LEU . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 13' ' ' ILE . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' HD12 ' A' ' 57' ' ' LEU . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 53' ' ' TYR . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -53.92 -38.56 65.01 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.521 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.53 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 121.32 8.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.569 -0.959 . . . . 0.0 110.472 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' NE2' ' A' ' 44' ' ' HIS . 18.5 tt -69.73 168.91 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.481 -0.762 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.34 -160.13 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.476 -0.765 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.733 ' HB2' HD21 ' A' ' 32' ' ' LEU . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' HB3' HD21 ' A' ' 49' ' ' LEU . 2.4 m-70 -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 44' ' ' HIS . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.623 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 57' ' ' LEU . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD11 ' NE ' ' A' ' 52' ' ' ARG . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 50.89 -176.58 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.422 0 CA-C-O 117.934 -1.481 . . . . 0.0 109.499 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -101.95 -174.62 2.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.451 -1.029 . . . . 0.0 110.328 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 4' ' ' ALA . 92.4 mt -85.8 167.75 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -94.02 -166.7 1.54 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.746 -0.596 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG21 ' CH2' ' A' ' 33' ' ' TRP . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.853 ' CB ' HD21 ' A' ' 32' ' ' LEU . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 32' ' ' LEU . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 27' ' ' VAL . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.479 ' CH2' HG21 ' A' ' 17' ' ' VAL . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' LEU . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 53' ' ' TYR . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.35 92.94 4.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.666 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mmp_? -115.07 75.31 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.651 -0.911 . . . . 0.0 110.311 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 2' ' ' ARG . 2.1 tt 46.73 -175.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 122.041 -0.412 . . . . 0.0 111.367 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.23 156.67 43.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.12 -0.987 . . . . 0.0 110.495 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HE3' ' A' ' 36' ' ' MET . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.815 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.794 ' HB3' HD13 ' A' ' 32' ' ' LEU . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.694 ' HE3' HD12 ' A' ' 49' ' ' LEU . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.752 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 ' HG2' ' A' ' 36' ' ' MET . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.456 ' HE1' HG23 ' A' ' 3' ' ' ILE . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 57' ' ' LEU . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' N ' HD12 ' A' ' 54' ' ' LEU . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 109.96 1.12 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.574 -179.92 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -99.3 147.8 24.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.927 . . . . 0.0 110.092 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.442 HG23 ' NE2' ' A' ' 44' ' ' HIS . 14.5 tt -69.96 150.47 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.579 -0.7 . . . . 0.0 110.057 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.57 -179.22 3.95 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.641 -0.662 . . . . 0.0 110.474 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.573 HG12 HD22 ' A' ' 49' ' ' LEU . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.705 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.807 ' HB2' HD21 ' A' ' 32' ' ' LEU . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' HG21 ' A' ' 17' ' ' VAL . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 43' ' ' GLN . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' HG2' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.442 ' NE2' HG23 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' LEU . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD22 HG12 ' A' ' 13' ' ' ILE . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 51.54 -172.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 126.38 6.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.448 -1.03 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -133.83 61.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.701 -0.624 . . . . 0.0 109.659 179.498 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.41 -179.09 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.43 -0.794 . . . . 0.0 110.617 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' H ' HG22 ' A' ' 6' ' ' THR . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CG2' HD11 ' A' ' 49' ' ' LEU . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.762 ' CB ' HD11 ' A' ' 32' ' ' LEU . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.053 ' HB1' HG12 ' A' ' 27' ' ' VAL . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' HD13 ' A' ' 32' ' ' LEU . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 1.053 HG12 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 9' ' ' ASP . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD11 ' CG2' ' A' ' 13' ' ' ILE . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' HA ' HD12 ' A' ' 57' ' ' LEU . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -56.26 -27.33 54.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.947 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.44 168.59 19.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.644 -0.915 . . . . 0.0 110.284 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.2 mp -129.08 37.33 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.56 -0.713 . . . . 0.0 109.696 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.23 179.36 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.465 -0.772 . . . . 0.0 110.999 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.4 ' CZ ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 9' ' ' ASP . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.539 ' CG ' HG21 ' A' ' 42' ' ' THR . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' ASP . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 19' ' ' GLU . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ILE . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE2' HG22 ' A' ' 15' ' ' THR . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.786 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.6 m120 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.539 HG21 ' CG ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.4 ' CD2' ' CZ ' ' A' ' 5' ' ' PHE . 0.4 OUTLIER -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 52' ' ' ARG . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -71.12 167.92 18.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.504 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.963 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.54 135.4 51.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.932 . . . . 0.0 110.196 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 3' ' ' ILE . 11.3 tp -101.86 30.5 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.582 -0.699 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.08 -174.86 2.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.496 -0.753 . . . . 0.0 109.939 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' OD1' HG21 ' A' ' 42' ' ' THR . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' THR . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.556 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.822 ' HB3' HD22 ' A' ' 32' ' ' LEU . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.714 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.478 ' CE ' HD13 ' A' ' 49' ' ' LEU . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' H ' HG22 ' A' ' 42' ' ' THR . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD13 ' CE ' ' A' ' 36' ' ' MET . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 97.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.583 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 148.53 28.51 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.492 -1.005 . . . . 0.0 110.403 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.611 HG22 ' O ' ' A' ' 3' ' ' ILE . 4.3 mp -137.91 35.36 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.392 -0.818 . . . . 0.0 109.988 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.18 -169.21 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.277 -0.889 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 7' ' ' ASP . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 17' ' ' VAL . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 13' ' ' ILE . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' A' ' 32' ' ' LEU . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.665 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.503 ' CH2' HG21 ' A' ' 17' ' ' VAL . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' TYR . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 79.8 2.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.502 -179.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 120.972 0.415 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.693 HG23 HD11 ' A' ' 49' ' ' LEU . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 18' ' ' LYS . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.69 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 14' ' ' LEU . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 32' ' ' LEU . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.75 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.46 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD11 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 53' ' ' TYR . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.499 2.009 0 CA-C-O 121.2 0.524 . . . . 0.0 111.573 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' ILE . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.897 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' HD22 ' A' ' 32' ' ' LEU . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.897 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 49' ' ' LEU . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' LEU . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 49' ' ' LEU . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.63 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.607 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' HA ' HD21 ' A' ' 49' ' ' LEU . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 . . . . . 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.35 0.595 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ILE . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.715 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.934 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.934 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.463 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 44' ' ' HIS . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.72 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 53' ' ' TYR . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 . . . . . 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.099 0 CA-C-O 121.126 0.488 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 9' ' ' ASP . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.476 ' H ' HG23 ' A' ' 6' ' ' THR . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' ASP . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ILE . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.806 ' CB ' HD21 ' A' ' 32' ' ' LEU . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.826 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.406 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 41' ' ' LEU . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 57' ' ' LEU . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 53' ' ' TYR . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 . . . . . 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.74 0 CA-C-O 121.243 0.544 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ASP . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 13' ' ' ILE . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.786 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 28' ' ' THR . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.754 ' HE3' HD12 ' A' ' 49' ' ' LEU . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 41' ' ' LEU . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.787 ' N ' HD13 ' A' ' 41' ' ' LEU . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.9 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 53' ' ' TYR . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.719 0 CA-C-O 121.254 0.55 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' VAL . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ILE . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.817 ' CB ' HD11 ' A' ' 32' ' ' LEU . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.547 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' CB ' ' A' ' 20' ' ' ASN . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.445 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' HD11 ' A' ' 49' ' ' LEU . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.806 ' N ' HD13 ' A' ' 41' ' ' LEU . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CH2' ' ND2' ' A' ' 30' ' ' ASN . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.509 HD11 ' HE1' ' A' ' 36' ' ' MET . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 57' ' ' LEU . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.126 0.488 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CG ' ' HG3' ' A' ' 36' ' ' MET . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.76 ' HB2' HD21 ' A' ' 32' ' ' LEU . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.769 ' OG ' HD13 ' A' ' 32' ' ' LEU . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.659 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.645 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 49' ' ' LEU . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 42' ' ' THR . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.568 ' N ' HD23 ' A' ' 41' ' ' LEU . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 57' ' ' LEU . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 53' ' ' TYR . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? . . . . . 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 2.132 0 CA-C-O 121.025 0.44 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 49' ' ' LEU . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.795 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.831 ' HB2' HD21 ' A' ' 32' ' ' LEU . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' HD22 ' A' ' 32' ' ' LEU . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 27' ' ' VAL . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 ' HB2' ' A' ' 20' ' ' ASN . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.819 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.819 HD12 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 33' ' ' TRP . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 57' ' ' LEU . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 52' ' ' ARG . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 . . . . . 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.979 0.419 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' ASP . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 17' ' ' VAL . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 13' ' ' ILE . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.903 ' HB3' HD11 ' A' ' 32' ' ' LEU . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.78 ' OG ' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.68 ' HE3' HD12 ' A' ' 49' ' ' LEU . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 49' ' ' LEU . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 36' ' ' MET . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.764 ' HA ' HD12 ' A' ' 57' ' ' LEU . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 53' ' ' TYR . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 . . . . . 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 121.419 0.628 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 49' ' ' LEU . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.886 ' CB ' HD21 ' A' ' 32' ' ' LEU . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.682 ' OG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 21' ' ' ALA . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 49' ' ' LEU . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 13' ' ' ILE . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.202 0.525 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 41' ' ' LEU . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' HD22 ' A' ' 41' ' ' LEU . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.67 ' HB3' HD11 ' A' ' 32' ' ' LEU . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.749 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.731 ' HB2' HD22 ' A' ' 32' ' ' LEU . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 27' ' ' VAL . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.749 HD21 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HB2' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' TRP . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.519 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 53' ' ' TYR . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.767 0 CA-C-O 120.973 0.416 . . . . 0.0 109.915 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' ' 15' ' ' THR . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.757 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 28' ' ' THR . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.668 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.668 HD21 ' CE ' ' A' ' 36' ' ' MET . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 121.303 0.573 . . . . 0.0 110.642 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' OE2' ' A' ' 19' ' ' GLU . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.787 ' OE2' HG22 ' A' ' 15' ' ' THR . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.925 ' HB3' HD11 ' A' ' 32' ' ' LEU . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB2' HD22 ' A' ' 32' ' ' LEU . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 28' ' ' THR . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 HG23 ' A' ' 27' ' ' VAL . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 20' ' ' ASN . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.476 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 46' ' ' TRP . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 54' ' ' LEU . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.437 HD12 ' HD3' ' A' ' 50' ' ' LYS . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 53' ' ' TYR . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.572 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . . . . . . 0 N--CA 1.501 2.116 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 49' ' ' LEU . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 19' ' ' GLU . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HG3' HG22 ' A' ' 15' ' ' THR . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.811 ' CB ' HD11 ' A' ' 32' ' ' LEU . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.705 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 36' ' ' MET . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.657 HD11 ' NH1' ' A' ' 52' ' ' ARG . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 . . . . . 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.792 0 CA-C-O 121.11 0.481 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 11' ' ' VAL . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 7' ' ' ASP . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.549 HG23 HD11 ' A' ' 49' ' ' LEU . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.919 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 ' HB3' ' A' ' 20' ' ' ASN . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.595 ' CE ' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.595 HD21 ' CE ' ' A' ' 36' ' ' MET . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 57' ' ' LEU . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.636 HD23 ' HD3' ' A' ' 58' ' ' ARG . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 53' ' ' TYR . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.636 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.08 0.467 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.817 ' HB3' HD11 ' A' ' 32' ' ' LEU . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.754 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 20' ' ' ASN . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.534 HG22 ' H ' ' A' ' 43' ' ' GLN . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.534 ' H ' HG22 ' A' ' 42' ' ' THR . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 44' ' ' HIS . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.192 0.52 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 13' ' ' ILE . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 49' ' ' LEU . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.934 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.775 ' CB ' HD13 ' A' ' 32' ' ' LEU . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 13' ' ' ILE . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' HD12 ' A' ' 57' ' ' LEU . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 53' ' ' TYR . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.18 0.514 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.733 ' HB2' HD21 ' A' ' 32' ' ' LEU . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.514 ' HB3' HD21 ' A' ' 49' ' ' LEU . 2.4 m-70 -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 44' ' ' HIS . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.623 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 57' ' ' LEU . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.473 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.623 HD11 ' NE ' ' A' ' 52' ' ' ARG . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 . . . . . 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.993 0.425 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG21 ' CH2' ' A' ' 33' ' ' TRP . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.853 ' CB ' HD21 ' A' ' 32' ' ' LEU . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 32' ' ' LEU . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 27' ' ' VAL . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.479 ' CH2' HG21 ' A' ' 17' ' ' VAL . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' LEU . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 53' ' ' TYR . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.717 0 CA-C-O 121.259 0.552 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HE3' ' A' ' 36' ' ' MET . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.815 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.794 ' HB3' HD13 ' A' ' 32' ' ' LEU . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.694 ' HE3' HD12 ' A' ' 49' ' ' LEU . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.752 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 ' HG2' ' A' ' 36' ' ' MET . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 57' ' ' LEU . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.515 HD12 ' C ' ' A' ' 54' ' ' LEU . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' N ' HD12 ' A' ' 54' ' ' LEU . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 121.236 0.541 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.573 HG12 HD22 ' A' ' 49' ' ' LEU . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.705 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.807 ' HB2' HD21 ' A' ' 32' ' ' LEU . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.724 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' HG21 ' A' ' 17' ' ' VAL . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 43' ' ' GLN . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.554 ' HG2' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.426 ' CE1' ' CE1' ' A' ' 5' ' ' PHE . 1.2 m-70 -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' LEU . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.573 HD22 HG12 ' A' ' 13' ' ' ILE . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.059 0 CA-C-O 121.11 0.481 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.405 ' H ' HG22 ' A' ' 6' ' ' THR . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CG2' HD11 ' A' ' 49' ' ' LEU . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.762 ' CB ' HD11 ' A' ' 32' ' ' LEU . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.053 ' HB1' HG12 ' A' ' 27' ' ' VAL . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' HD13 ' A' ' 32' ' ' LEU . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 1.053 HG12 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 9' ' ' ASP . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 HD11 ' CG2' ' A' ' 13' ' ' ILE . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' HA ' HD12 ' A' ' 57' ' ' LEU . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 . . . . . 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.212 0.529 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 9' ' ' ASP . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.539 ' CG ' HG21 ' A' ' 42' ' ' THR . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' ASP . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 19' ' ' GLU . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ILE . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE2' HG22 ' A' ' 15' ' ' THR . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.786 ' CB ' HD11 ' A' ' 32' ' ' LEU . 38.4 m-20 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.539 HG21 ' CG ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 m-70 -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 52' ' ' ARG . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 . . . . . 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.416 ' OD1' HG21 ' A' ' 42' ' ' THR . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' THR . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.556 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.822 ' HB3' HD22 ' A' ' 32' ' ' LEU . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.714 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.478 ' CE ' HD13 ' A' ' 49' ' ' LEU . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.433 ' H ' HG22 ' A' ' 42' ' ' THR . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD13 ' CE ' ' A' ' 36' ' ' MET . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.096 0 CA-C-O 120.969 0.414 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 7' ' ' ASP . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 17' ' ' VAL . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 13' ' ' ILE . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' A' ' 32' ' ' LEU . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.665 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.503 ' CH2' HG21 ' A' ' 17' ' ' VAL . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' TYR . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.725 0 N-CA-C 110.291 -1.124 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.662 ' O ' HG22 ' A' ' 3' ' ' ILE . 19.0 mtt85 -103.32 64.14 0.82 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.487 -1.008 . . . . 0.0 110.219 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 2' ' ' ARG . 2.1 tt 46.31 -169.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.249 0 O-C-N 121.681 -0.637 . . . . 0.0 111.315 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -136.51 157.23 47.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.196 -0.94 . . . . 0.0 110.315 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 52' ' ' ARG . 47.9 m-85 -119.23 140.04 50.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.49 -0.757 . . . . 0.0 110.161 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.3 p -112.87 -165.2 0.97 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.548 -0.72 . . . . 0.0 110.108 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -72.43 -32.48 66.36 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.584 -0.698 . . . . 0.0 110.329 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.8 75.66 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.472 -0.767 . . . . 0.0 109.738 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -64.16 -38.88 92.65 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.767 -0.583 . . . . 0.0 109.959 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -63.93 -35.73 81.64 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.597 -0.689 . . . . 0.0 110.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.6 t -79.62 -32.45 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.549 -0.719 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.59 -46.81 21.05 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.454 -0.779 . . . . 0.0 110.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.693 HG23 HD11 ' A' ' 49' ' ' LEU . 80.2 mt -64.89 -39.83 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 O-C-N 121.635 -0.665 . . . . 0.0 109.752 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 HD11 ' HD2' ' A' ' 18' ' ' LYS . 63.3 tp -68.37 -61.56 1.79 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 109.886 179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.4 m -49.05 -35.07 14.8 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 121.519 -0.738 . . . . 0.0 111.248 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -78.51 -51.0 10.61 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.513 -0.742 . . . . 0.0 110.373 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.69 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 70.5 t -64.5 -36.56 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.54 -0.725 . . . . 0.0 110.27 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 14' ' ' LEU . 5.4 tttt -71.84 -26.73 62.49 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.386 -0.821 . . . . 0.0 110.813 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.22 -46.52 17.68 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.371 -0.831 . . . . 0.0 110.784 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.0 m-20 -98.27 -60.79 1.48 Allowed 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.397 -0.814 . . . . 0.0 110.111 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -60.51 92.71 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.722 -0.611 . . . . 0.0 110.778 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.46 28.76 1.81 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 109.211 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.5 p -158.42 173.57 4.86 Favored Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 121.647 -0.658 . . . . 0.0 109.888 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.02 63.29 8.73 Favored 'Trans proline' 0 C--N 1.317 -1.099 0 O-C-N 123.232 1.122 . . . . 0.0 110.216 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.95 -57.61 0.07 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.435 -0.79 . . . . 0.0 110.416 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.578 ' OG ' HD13 ' A' ' 32' ' ' LEU . 4.9 m -64.95 -32.04 73.57 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.505 -0.747 . . . . 0.0 110.464 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.75 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -95.9 -16.55 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.486 -0.759 . . . . 0.0 111.174 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -86.03 -35.66 20.21 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.243 -0.91 . . . . 0.0 110.49 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.45 -156.12 29.49 Favored Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -125.99 37.33 4.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.627 -0.925 . . . . 0.0 110.164 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -63.73 1.23 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.609 -0.682 . . . . 0.0 110.771 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -53.34 -30.07 37.38 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.387 -0.821 . . . . 0.0 110.756 -179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.46 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 48.1 m95 -77.64 -57.57 3.74 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -56.53 -40.38 74.97 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.511 -0.743 . . . . 0.0 109.928 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.47 -38.98 78.7 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.631 -0.668 . . . . 0.0 109.73 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.7 ttp -67.39 -38.55 84.85 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HG3' ' HA ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -57.27 -28.4 62.95 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.37 -0.831 . . . . 0.0 110.076 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -81.78 -30.16 32.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.64 -0.662 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.1 m -149.36 64.18 1.02 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.581 -0.699 . . . . 0.0 109.989 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -90.67 158.11 17.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.572 -0.705 . . . . 0.0 110.418 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -32.22 60.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.696 -0.628 . . . . 0.0 109.786 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 p -108.94 -166.54 1.12 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.583 -0.698 . . . . 0.0 109.532 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -111.48 95.21 5.37 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.419 -0.801 . . . . 0.0 110.036 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -156.45 162.6 39.98 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.545 -0.722 . . . . 0.0 110.636 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 37' ' ' GLU . 1.2 p -90.39 -175.06 4.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.711 -0.618 . . . . 0.0 109.824 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 9.8 p-90 -94.7 -33.14 13.05 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.596 -0.69 . . . . 0.0 109.719 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.3 -69.75 0.13 Allowed 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.665 -0.647 . . . . 0.0 110.348 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -54.1 -26.62 28.2 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.45 -0.781 . . . . 0.0 109.81 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD11 HG23 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -65.41 -60.03 3.39 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.718 -0.614 . . . . 0.0 109.459 179.083 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -30.65 66.96 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.575 -0.703 . . . . 0.0 110.59 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -64.89 -45.43 86.02 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.539 -0.726 . . . . 0.0 110.236 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -65.07 -31.3 72.45 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.856 -0.738 . . . . 0.0 109.817 179.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.667 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.42 -63.19 1.36 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.465 -0.772 . . . . 0.0 110.573 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 51.8 mt -69.7 -21.67 63.47 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.428 -0.795 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.7 mmtt -60.72 -47.12 87.7 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.573 -0.704 . . . . 0.0 110.543 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.87 46.65 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.407 -0.808 . . . . 0.0 111.927 -179.692 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.667 HD12 ' HA ' ' A' ' 53' ' ' TYR . 91.5 mt -129.91 -69.31 0.68 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.252 -0.905 . . . . 0.0 109.997 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -63.91 -51.5 64.18 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.573 -0.704 . . . . 0.0 109.786 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.496 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.79 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' C ' HG13 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -157.93 -157.44 0.65 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.615 -0.933 . . . . 0.0 109.589 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.599 ' C ' HD12 ' A' ' 3' ' ' ILE . 2.2 pp 38.58 -172.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.511 2.598 0 N-CA-C 114.192 1.182 . . . . 0.0 114.192 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . 47.06 89.77 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.6 -0.688 . . . . 0.0 111.573 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -149.72 63.07 1.0 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.657 -0.652 . . . . 0.0 110.02 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.7 t -67.37 -176.28 0.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.581 -0.699 . . . . 0.0 110.253 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -33.54 74.78 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.564 -0.71 . . . . 0.0 110.239 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 -32.18 72.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.524 -0.735 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -82.63 -35.29 27.12 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.705 -0.622 . . . . 0.0 109.958 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -69.22 -43.28 74.4 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.609 -0.682 . . . . 0.0 110.149 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.93 -33.28 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.555 -0.716 . . . . 0.0 109.885 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.85 57.71 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.605 -0.684 . . . . 0.0 110.126 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.61 ' O ' HG23 ' A' ' 17' ' ' VAL . 77.6 mt -74.37 -30.35 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.563 -0.711 . . . . 0.0 109.837 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 tp -76.58 -56.61 4.46 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.43 -0.794 . . . . 0.0 109.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 m -54.28 -35.97 63.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.383 -0.823 . . . . 0.0 110.384 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -70.02 -50.64 39.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.675 -0.641 . . . . 0.0 109.767 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 13' ' ' ILE . 93.5 t -63.34 -46.71 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.549 -0.719 . . . . 0.0 109.915 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -22.32 60.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.485 -0.759 . . . . 0.0 110.663 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -89.24 -27.77 20.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.328 -0.858 . . . . 0.0 110.868 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.897 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.5 m-20 -114.4 -60.72 1.85 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.293 -0.879 . . . . 0.0 110.27 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' CB ' HG13 ' A' ' 17' ' ' VAL . . . -47.52 125.92 9.05 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 121.621 -0.674 . . . . 0.0 111.82 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.63 -43.11 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.8 p -85.16 159.95 55.73 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.735 -0.603 . . . . 0.0 109.756 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -72.66 67.3 3.79 Favored 'Trans proline' 0 C--N 1.316 -1.173 0 O-C-N 123.366 1.193 . . . . 0.0 110.155 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.8 t -165.92 -43.14 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.427 -0.796 . . . . 0.0 110.785 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' HD22 ' A' ' 32' ' ' LEU . 57.9 m -56.76 -46.22 81.58 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.345 -0.847 . . . . 0.0 110.668 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.4 m -83.68 -21.23 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.478 -0.764 . . . . 0.0 110.804 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 m -88.85 -24.09 22.63 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.388 -0.82 . . . . 0.0 110.657 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -164.7 28.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.657 -1.377 . . . . 0.0 109.657 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -121.73 27.69 8.04 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.588 -0.948 . . . . 0.0 110.094 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.98 -62.38 1.48 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.498 -0.752 . . . . 0.0 110.704 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.897 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -54.05 -32.01 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.517 -0.739 . . . . 0.0 110.301 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.7 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.8 m95 -74.19 -53.36 9.99 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.598 -0.689 . . . . 0.0 109.611 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -60.34 -41.05 92.79 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.446 -0.784 . . . . 0.0 109.991 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.97 -34.26 73.04 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.555 -0.716 . . . . 0.0 110.188 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.697 ' SD ' HD13 ' A' ' 49' ' ' LEU . 38.6 ttm -62.5 -45.0 94.99 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.692 -0.63 . . . . 0.0 110.142 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' HA ' HD13 ' A' ' 41' ' ' LEU . 10.6 tm-20 -62.48 -26.48 68.55 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.624 -0.673 . . . . 0.0 110.365 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -89.7 -46.59 8.51 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.518 -0.739 . . . . 0.0 110.418 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 p -66.4 -72.38 0.16 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.503 -0.748 . . . . 0.0 110.277 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -151.97 124.75 8.48 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.543 -0.723 . . . . 0.0 110.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.764 HD11 HD22 ' A' ' 49' ' ' LEU . 2.7 tt -151.92 173.51 14.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.556 -0.715 . . . . 0.0 110.108 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.63 ' N ' HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -88.44 -81.21 0.26 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.664 -0.648 . . . . 0.0 110.703 -179.521 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -164.6 65.07 0.14 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.317 -0.864 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.607 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.6 m-70 -149.51 174.71 12.21 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.706 -0.621 . . . . 0.0 110.658 -178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.22 148.14 22.71 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 120.115 -0.634 . . . . 0.0 109.681 179.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' HA ' HD21 ' A' ' 49' ' ' LEU . 14.4 p-90 -50.97 -31.37 17.67 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.349 -0.845 . . . . 0.0 110.265 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -66.6 -41.61 88.19 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.775 -0.578 . . . . 0.0 110.212 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -58.81 -63.32 1.34 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.42 -0.8 . . . . 0.0 109.933 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.764 HD22 HD11 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -56.86 -20.96 25.77 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.466 -0.771 . . . . 0.0 110.714 179.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -46.98 16.72 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.19 -0.944 . . . . 0.0 109.104 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -66.55 -34.01 76.94 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.789 -0.569 . . . . 0.0 109.991 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.33 -38.32 89.78 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.587 -0.696 . . . . 0.0 109.811 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.752 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.5 t80 -59.53 -42.8 93.12 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.5 -0.75 . . . . 0.0 109.936 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.92 -25.08 32.76 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.566 -0.709 . . . . 0.0 110.142 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 7.4 mmtt -56.95 -49.62 75.11 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.488 -0.757 . . . . 0.0 110.659 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.419 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.69 49.43 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.458 -0.776 . . . . 0.0 111.82 179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.752 HD12 ' HA ' ' A' ' 53' ' ' TYR . 98.8 mt -131.88 -47.96 0.95 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.449 -0.782 . . . . 0.0 109.537 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -86.98 -56.32 3.44 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.645 -0.659 . . . . 0.0 110.182 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.339 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -65.03 173.14 2.52 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.557 -0.967 . . . . 0.0 110.096 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.531 HD13 ' CE1' ' A' ' 44' ' ' HIS . 14.0 tt -62.17 154.08 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.523 -0.735 . . . . 0.0 109.705 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.59 161.16 13.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.501 -0.749 . . . . 0.0 110.847 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.13 129.07 55.31 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.811 -0.555 . . . . 0.0 109.91 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 -173.52 2.33 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 109.955 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.98 -42.81 89.35 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.639 -0.663 . . . . 0.0 110.274 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.26 86.65 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.538 -0.726 . . . . 0.0 110.423 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.38 -43.4 97.72 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.549 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.62 -45.59 91.51 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.569 -0.707 . . . . 0.0 110.649 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.04 -54.02 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.459 -0.776 . . . . 0.0 110.286 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.02 -53.29 59.5 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.595 -0.69 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 17' ' ' VAL . 71.0 mt -62.34 -32.64 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.528 -0.733 . . . . 0.0 110.245 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.18 -61.73 1.66 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.446 -0.784 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 m -52.5 -43.69 65.22 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.449 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 23.6 t80 -58.64 -43.61 89.78 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.599 -0.688 . . . . 0.0 110.021 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 13' ' ' ILE . 79.7 t -66.3 -50.8 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.704 -0.622 . . . . 0.0 109.797 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -68.5 -17.0 64.08 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.397 -0.815 . . . . 0.0 111.035 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.71 -28.19 33.56 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.262 -0.899 . . . . 0.0 110.759 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.715 ' CB ' HD11 ' A' ' 32' ' ' LEU . 12.9 m-20 -124.05 -46.41 1.95 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.366 -0.834 . . . . 0.0 110.017 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.934 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -67.83 76.09 0.2 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.768 -0.583 . . . . 0.0 110.616 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.43 29.1 7.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.475 -0.766 . . . . 0.0 109.682 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -150.69 161.23 30.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.676 -0.64 . . . . 0.0 109.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.57 64.34 4.67 Favored 'Trans proline' 0 C--N 1.317 -1.125 0 O-C-N 123.325 1.171 . . . . 0.0 110.369 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -162.77 -56.78 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.585 -0.697 . . . . 0.0 110.154 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 m -61.03 -31.16 70.8 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.554 -0.716 . . . . 0.0 110.199 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.934 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -93.83 10.56 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.59 -0.694 . . . . 0.0 111.186 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 m -156.39 29.11 0.34 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.155 -0.966 . . . . 0.0 110.307 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.39 13.12 3.25 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 52.34 23.26 2.36 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.941 -1.329 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.93 -68.35 0.79 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.406 -0.809 . . . . 0.0 109.875 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -56.74 -27.83 60.0 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.554 -0.716 . . . . 0.0 110.259 179.707 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -74.24 -53.81 9.0 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.553 -0.717 . . . . 0.0 109.274 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -58.45 -38.19 76.99 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.484 -0.76 . . . . 0.0 109.664 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.15 -36.99 73.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.682 -0.636 . . . . 0.0 109.99 179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -61.05 -46.9 88.8 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.68 -0.638 . . . . 0.0 109.533 179.502 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -55.62 -29.66 59.58 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.676 -0.64 . . . . 0.0 110.226 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -82.44 -29.6 30.57 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.668 -0.645 . . . . 0.0 110.179 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -161.63 72.86 0.41 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.503 -0.748 . . . . 0.0 110.777 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.6 p -112.38 -171.54 1.87 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.432 -0.792 . . . . 0.0 110.17 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.67 -33.11 5.94 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.549 -0.719 . . . . 0.0 110.08 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.9 m -82.24 -17.98 44.13 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.635 -0.665 . . . . 0.0 110.626 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 59.82 86.41 0.09 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.292 -0.88 . . . . 0.0 109.998 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' CE1' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -150.27 166.13 30.88 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.692 -0.63 . . . . 0.0 110.143 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.58 131.08 35.26 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.599 -0.688 . . . . 0.0 109.402 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.423 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 12.3 p-90 -48.27 -38.32 18.43 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.62 -0.675 . . . . 0.0 111.082 -179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 46' ' ' TRP . 0.9 OUTLIER -58.92 -39.46 81.65 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.626 -0.671 . . . . 0.0 109.688 179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.6 t -73.86 -27.07 60.9 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.988 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 44' ' ' HIS . 70.9 mt -79.35 -39.66 32.11 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.544 -0.722 . . . . 0.0 109.676 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.68 59.21 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.772 -0.58 . . . . 0.0 110.321 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.21 -35.19 74.87 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.598 -0.689 . . . . 0.0 110.314 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -65.04 -44.42 89.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.464 -0.772 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.72 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.6 t80 -56.45 -32.89 65.36 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.473 -0.767 . . . . 0.0 110.201 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 23.6 mt -90.81 -32.78 15.96 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.753 -0.592 . . . . 0.0 110.196 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.3 mmtm -52.48 -55.91 18.77 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.517 -0.739 . . . . 0.0 111.037 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -163.63 49.69 0.14 Allowed 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 119.652 -0.819 . . . . 0.0 111.837 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 53' ' ' TYR . 53.9 mt -124.55 -65.11 1.06 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.778 . . . . 0.0 109.966 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -58.69 105.46 0.31 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.629 -0.669 . . . . 0.0 110.478 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.46 0 CA-C-O 117.909 -1.495 . . . . 0.0 109.603 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.13 -178.49 3.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.556 -0.967 . . . . 0.0 110.284 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.627 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.8 mp -121.89 30.92 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.446 -0.784 . . . . 0.0 109.877 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.14 -166.94 0.06 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.319 -0.863 . . . . 0.0 110.751 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 5.7 m-85 -156.65 175.83 13.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.576 -0.703 . . . . 0.0 110.21 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.476 HG23 ' H ' ' A' ' 9' ' ' ASP . 8.5 t -151.29 -172.52 4.23 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.612 -0.68 . . . . 0.0 110.241 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.525 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -72.74 -32.28 65.57 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.638 -0.663 . . . . 0.0 110.235 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.26 75.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.504 -0.747 . . . . 0.0 110.456 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.476 ' H ' HG23 ' A' ' 6' ' ' THR . 2.4 m-20 -60.91 -37.26 81.65 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.11 -33.93 77.19 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.585 -0.697 . . . . 0.0 110.521 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 7' ' ' ASP . 67.5 t -71.91 -46.55 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.478 -0.764 . . . . 0.0 110.166 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.63 -48.49 80.63 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.564 -0.71 . . . . 0.0 110.333 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . 70.9 mt -63.05 -45.99 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.514 -0.741 . . . . 0.0 109.258 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -61.33 -64.0 1.09 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.581 -0.699 . . . . 0.0 109.812 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.6 m -52.4 -48.79 65.45 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.476 -0.765 . . . . 0.0 111.105 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.451 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 46.1 t80 -59.18 -51.23 70.88 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 13' ' ' ILE . 72.7 t -64.77 -51.12 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.764 -0.585 . . . . 0.0 110.178 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -55.99 -22.6 27.66 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.437 -0.789 . . . . 0.0 111.084 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -91.03 -23.43 20.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.379 -0.826 . . . . 0.0 110.852 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.806 ' CB ' HD21 ' A' ' 32' ' ' LEU . 89.2 m-20 -106.05 -57.86 1.99 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.411 -0.806 . . . . 0.0 110.643 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 27' ' ' VAL . . . -47.77 111.79 0.47 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.554 -0.716 . . . . 0.0 111.605 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.36 27.42 0.51 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.705 -0.622 . . . . 0.0 110.054 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -167.38 162.76 10.19 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.231 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -73.58 65.21 4.7 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.369 1.194 . . . . 0.0 110.39 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -168.19 -38.61 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.462 -0.774 . . . . 0.0 111.018 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.826 ' HB3' HD22 ' A' ' 32' ' ' LEU . 1.5 m -70.44 -46.81 63.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.397 -0.814 . . . . 0.0 111.352 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.589 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 35.3 m -86.97 -24.15 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.198 -0.939 . . . . 0.0 111.2 -179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 28' ' ' THR . 7.1 t -89.26 -22.79 22.53 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.346 -0.846 . . . . 0.0 110.352 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.78 -155.39 31.78 Favored Glycine 0 N--CA 1.492 2.394 0 N-CA-C 109.089 -1.604 . . . . 0.0 109.089 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -133.67 26.98 4.03 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.531 -0.982 . . . . 0.0 110.035 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -58.34 2.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.375 -0.828 . . . . 0.0 110.474 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.0 tp -54.43 -26.83 33.12 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.498 -0.751 . . . . 0.0 110.243 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -82.97 -44.6 15.1 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -61.33 -47.25 86.75 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.712 -0.618 . . . . 0.0 109.443 178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.78 -34.91 75.21 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.696 -0.628 . . . . 0.0 109.776 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.451 ' CE ' ' CD1' ' A' ' 16' ' ' TYR . 29.0 ttm -59.55 -38.29 80.69 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.494 -0.754 . . . . 0.0 109.639 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -66.91 -29.36 69.23 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 120.21 -0.596 . . . . 0.0 109.476 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -102.14 13.37 34.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.691 -0.63 . . . . 0.0 110.732 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.7 m -123.98 -73.36 0.64 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.274 -0.892 . . . . 0.0 110.474 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.8 t -152.56 103.48 2.81 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.428 -0.795 . . . . 0.0 110.578 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.832 HD11 ' CD1' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -140.52 -137.7 0.12 Allowed 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.406 ' H ' HD22 ' A' ' 41' ' ' LEU . 2.5 m -144.83 -62.33 0.36 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.679 -1.263 . . . . 0.0 109.839 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.22 71.22 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.662 -0.649 . . . . 0.0 109.642 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -157.79 158.38 35.12 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.461 -0.774 . . . . 0.0 111.159 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.26 143.11 28.09 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.453 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 17.3 p-90 -50.8 -33.3 22.92 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.627 -0.671 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.2 tt0 -63.92 -56.05 18.08 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.773 -0.579 . . . . 0.0 110.567 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -54.09 -27.07 30.45 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.476 -0.765 . . . . 0.0 110.572 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.832 ' CD1' HD11 ' A' ' 41' ' ' LEU . 68.9 mt -82.1 -34.89 29.1 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.614 -0.679 . . . . 0.0 109.617 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -70.81 -45.93 63.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.629 -0.67 . . . . 0.0 109.378 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -67.04 -35.4 79.8 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.753 -0.592 . . . . 0.0 109.634 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -62.43 -36.28 81.88 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.636 -0.665 . . . . 0.0 109.569 179.689 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.492 ' HA ' HD12 ' A' ' 57' ' ' LEU . 21.2 t80 -62.29 -52.66 62.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.582 -0.699 . . . . 0.0 110.161 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 72.6 mt -79.25 -19.67 50.07 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.456 -0.778 . . . . 0.0 110.418 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 16.4 mmtt -58.56 -49.6 76.85 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.339 -0.851 . . . . 0.0 110.223 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.08 44.41 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.521 -0.737 . . . . 0.0 111.846 179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 53' ' ' TYR . 78.8 mt -127.25 -70.08 0.72 Allowed 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.346 -0.846 . . . . 0.0 109.885 178.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.9 ttt85 51.44 57.4 6.63 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.496 -0.752 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.469 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.615 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.4 -164.33 1.03 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.603 -0.939 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.459 ' CG2' ' CD1' ' A' ' 5' ' ' PHE . 5.9 mm -58.93 126.01 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.627 -0.67 . . . . 0.0 109.773 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.56 79.25 1.07 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.672 . . . . 0.0 109.888 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' CG2' ' A' ' 3' ' ' ILE . 1.4 m-30 -115.09 73.64 0.84 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.642 -0.661 . . . . 0.0 110.543 -179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.8 m -63.67 172.87 1.93 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.593 -0.692 . . . . 0.0 110.01 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.3 m-20 -58.56 -29.19 66.18 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.53 -0.731 . . . . 0.0 110.426 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.27 -49.43 23.18 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.542 -0.724 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -25.51 65.89 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.645 -0.66 . . . . 0.0 110.478 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -76.02 -43.49 43.91 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.497 -0.752 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 7' ' ' ASP . 86.5 t -63.09 -30.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.522 -0.737 . . . . 0.0 109.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.92 -46.02 63.22 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.607 -0.683 . . . . 0.0 110.073 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.627 ' O ' HG23 ' A' ' 17' ' ' VAL . 94.3 mt -63.03 -48.24 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 121.608 -0.683 . . . . 0.0 109.517 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.78 -54.66 35.62 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.631 -0.668 . . . . 0.0 109.792 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -57.68 -41.19 81.09 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.408 -0.807 . . . . 0.0 110.437 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.453 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 36.9 t80 -67.65 -34.04 76.14 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.488 -0.758 . . . . 0.0 110.338 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 13' ' ' ILE . 92.0 t -85.18 -55.36 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.695 . . . . 0.0 110.204 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.62 -23.6 6.83 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.462 -0.773 . . . . 0.0 111.342 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -90.15 -48.54 7.1 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.401 -0.812 . . . . 0.0 110.441 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.872 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.6 m-20 -80.49 -60.08 2.45 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.554 -0.716 . . . . 0.0 110.283 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -45.84 99.91 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.735 -0.603 . . . . 0.0 111.809 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 28.0 ttp180 -144.9 28.97 1.23 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.667 -0.646 . . . . 0.0 110.211 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 p -161.98 160.81 21.91 Favored Pre-proline 0 N--CA 1.494 1.734 0 O-C-N 121.581 -0.699 . . . . 0.0 110.144 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -71.53 64.33 2.95 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.39 1.205 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 45.1 t -165.16 -42.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.553 -0.717 . . . . 0.0 110.194 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.786 ' HB3' HD13 ' A' ' 32' ' ' LEU . 10.5 m -60.07 -41.74 93.07 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.637 -0.665 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.4 m -104.86 26.5 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.402 ' O ' HG22 ' A' ' 28' ' ' THR . 9.7 m -147.93 15.93 1.08 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.606 -0.684 . . . . 0.0 111.073 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -149.09 17.05 1.18 Allowed Glycine 0 N--CA 1.493 2.487 0 C-N-CA 119.973 -1.108 . . . . 0.0 110.694 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 49.48 27.07 1.89 Allowed 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.076 -1.25 . . . . 0.0 111.329 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.69 -63.04 1.36 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.342 -0.849 . . . . 0.0 110.979 -179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -55.15 -22.04 15.63 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.446 -0.784 . . . . 0.0 111.168 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.754 ' HE3' HD12 ' A' ' 49' ' ' LEU . 25.1 m95 -83.17 -51.87 7.11 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.496 -0.753 . . . . 0.0 109.326 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -56.5 -39.9 74.05 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.393 -0.817 . . . . 0.0 110.304 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.78 -35.63 75.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.453 -0.779 . . . . 0.0 109.669 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.538 ' SD ' HD23 ' A' ' 41' ' ' LEU . 22.2 ttm -62.11 -43.95 97.71 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.64 -0.662 . . . . 0.0 109.862 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -60.57 -37.24 80.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.686 . . . . 0.0 110.306 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -90.29 -17.22 27.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.578 -0.701 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -88.95 -65.77 0.99 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.328 -0.857 . . . . 0.0 110.403 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.02 94.55 1.65 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.465 -0.772 . . . . 0.0 110.25 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 42' ' ' THR . 0.7 OUTLIER -157.57 140.57 15.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.532 -0.73 . . . . 0.0 109.989 -179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.787 ' N ' HD13 ' A' ' 41' ' ' LEU . 6.1 p -56.44 -171.55 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.575 -0.703 . . . . 0.0 110.726 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.94 85.62 0.7 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.594 -0.691 . . . . 0.0 110.535 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' CE1' HG23 ' A' ' 3' ' ' ILE . 3.6 m-70 -152.31 163.11 40.12 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.633 -0.667 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.24 148.4 22.23 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 120.261 -0.575 . . . . 0.0 110.109 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.452 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 22.0 p-90 -56.88 -34.99 68.41 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.699 -0.626 . . . . 0.0 110.378 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.452 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.9 tt0 -70.04 -35.6 74.41 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.632 -0.668 . . . . 0.0 110.352 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' HD12 ' A' ' 3' ' ' ILE . 33.3 t -56.99 -59.69 4.69 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.45 -0.781 . . . . 0.0 109.752 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -64.84 -25.44 67.91 Favored 'General case' 0 N--CA 1.498 1.974 0 C-N-CA 119.971 -0.692 . . . . 0.0 109.739 179.107 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.446 ' HD2' ' CE2' ' A' ' 33' ' ' TRP . 18.7 tptm -70.08 -39.11 75.8 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.186 -0.946 . . . . 0.0 108.738 178.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.31 -31.68 72.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.698 -0.626 . . . . 0.0 109.743 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -65.85 -31.72 72.83 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.511 ' HA ' HD12 ' A' ' 57' ' ' LEU . 4.0 t80 -67.31 -39.99 85.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.607 -0.683 . . . . 0.0 109.972 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.9 mt -90.56 -22.03 21.49 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.577 -0.702 . . . . 0.0 110.689 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -57.0 -63.57 1.16 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.318 -0.863 . . . . 0.0 110.64 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.434 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -150.0 20.24 0.88 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.484 -0.76 . . . . 0.0 111.603 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 53' ' ' TYR . 12.9 mt -93.14 -64.84 1.05 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.267 -0.896 . . . . 0.0 109.874 178.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -74.79 -177.84 3.43 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.658 -0.652 . . . . 0.0 110.113 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 CA-C-O 117.907 -1.496 . . . . 0.0 109.495 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -91.77 -168.34 2.0 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.961 . . . . 0.0 110.282 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 44' ' ' HIS . 6.4 tt -61.04 157.64 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.613 -0.679 . . . . 0.0 110.096 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.96 177.26 6.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.434 -0.791 . . . . 0.0 110.445 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -137.57 116.41 12.3 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.71 . . . . 0.0 110.028 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 p -78.5 175.22 10.53 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.521 -0.737 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.65 -46.92 77.36 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.553 -0.717 . . . . 0.0 110.33 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.08 -24.4 53.71 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.527 -0.733 . . . . 0.0 110.584 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -80.49 -46.08 16.45 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.471 -0.768 . . . . 0.0 110.314 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -44.37 96.66 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.452 -0.78 . . . . 0.0 110.287 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.83 -37.95 79.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.604 -0.685 . . . . 0.0 109.921 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.23 -49.6 54.85 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.541 -0.725 . . . . 0.0 109.966 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' VAL . 76.2 mt -59.31 -49.94 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.477 -0.765 . . . . 0.0 109.76 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.2 tp -57.21 -60.91 2.9 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.505 -0.747 . . . . 0.0 109.86 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -55.69 -48.0 75.83 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.515 -0.741 . . . . 0.0 110.253 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 46.0 t80 -58.31 -53.69 55.45 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.609 -0.682 . . . . 0.0 109.872 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' ILE . 88.6 t -60.78 -49.69 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -67.03 -15.5 63.76 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.539 -0.726 . . . . 0.0 111.293 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -97.19 -14.12 21.65 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.195 -0.941 . . . . 0.0 111.362 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.817 ' CB ' HD11 ' A' ' 32' ' ' LEU . 24.5 m-20 -117.1 -57.64 2.14 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.148 -0.97 . . . . 0.0 110.505 -179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.608 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -49.58 -86.67 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.529 -0.732 . . . . 0.0 111.524 -178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 51.02 25.21 2.16 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 120.921 -1.112 . . . . 0.0 110.795 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.22 151.94 3.26 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.479 -0.763 . . . . 0.0 110.372 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -78.18 60.3 7.36 Favored 'Trans proline' 0 C--N 1.317 -1.117 0 O-C-N 123.363 1.191 . . . . 0.0 110.509 179.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.1 t -152.44 -49.66 0.1 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.342 -0.849 . . . . 0.0 110.539 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.547 ' HB3' HD13 ' A' ' 32' ' ' LEU . 1.5 m -61.01 -37.63 83.24 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.456 -0.777 . . . . 0.0 109.998 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -101.15 34.46 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 O-C-N 121.68 -0.637 . . . . 0.0 110.167 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.8 m -124.36 -39.25 2.35 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.638 -0.664 . . . . 0.0 110.402 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.91 32.93 6.98 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.41 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 67.7 m-20 51.53 35.17 13.84 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.351 -1.087 . . . . 0.0 111.136 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.92 -61.93 1.6 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.443 -0.786 . . . . 0.0 110.354 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' CB ' ' A' ' 20' ' ' ASN . 3.3 tp -61.86 -25.3 67.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.575 -0.703 . . . . 0.0 110.541 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.445 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 61.5 m95 -78.77 -56.65 4.25 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.478 -0.764 . . . . 0.0 109.413 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 17.0 mmtp -56.71 -49.42 75.21 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.507 -0.746 . . . . 0.0 110.594 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.69 75.75 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.618 -0.676 . . . . 0.0 110.615 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.509 ' HE1' HD11 ' A' ' 49' ' ' LEU . 1.7 ttm -61.38 -42.77 99.24 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.57 -0.706 . . . . 0.0 110.159 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -32.65 72.01 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.597 -0.689 . . . . 0.0 109.894 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -92.03 -23.3 19.55 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.612 -0.68 . . . . 0.0 110.563 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.6 t -78.04 -77.15 0.16 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.45 -0.781 . . . . 0.0 110.418 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -154.38 95.36 1.8 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.406 -0.809 . . . . 0.0 110.266 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD13 ' N ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -151.91 140.63 20.85 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.616 -0.678 . . . . 0.0 109.803 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.806 ' N ' HD13 ' A' ' 41' ' ' LEU . 5.0 p -54.26 -176.8 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.632 -0.667 . . . . 0.0 110.791 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -64.2 84.4 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.648 -0.657 . . . . 0.0 110.23 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.4 ' CE1' HG12 ' A' ' 3' ' ' ILE . 2.1 m-70 -145.34 173.75 11.71 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.63 -0.669 . . . . 0.0 110.715 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.74 149.01 40.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.833 -0.542 . . . . 0.0 109.657 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CH2' ' ND2' ' A' ' 30' ' ' ASN . 9.2 p-90 -57.77 -35.02 70.2 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.567 -0.708 . . . . 0.0 110.134 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -54.87 -66.7 0.36 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.555 -0.716 . . . . 0.0 110.16 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -25.24 56.27 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.613 -0.679 . . . . 0.0 109.643 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.509 HD11 ' HE1' ' A' ' 36' ' ' MET . 0.1 OUTLIER -67.47 -49.12 64.99 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.77 -0.581 . . . . 0.0 109.575 179.238 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -42.07 63.88 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.679 -0.638 . . . . 0.0 110.112 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -60.15 -41.47 92.81 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.544 -0.722 . . . . 0.0 110.182 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -63.77 -35.97 82.35 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.556 -0.715 . . . . 0.0 109.585 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' HA ' HD12 ' A' ' 57' ' ' LEU . 48.2 t80 -62.93 -38.53 91.38 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.544 -0.723 . . . . 0.0 110.23 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 88.3 mt -89.11 -18.48 27.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.45 -0.781 . . . . 0.0 110.289 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 5.8 mtpp -61.06 -48.5 81.46 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.42 -0.8 . . . . 0.0 110.171 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.432 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -167.78 43.45 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.469 -0.769 . . . . 0.0 111.978 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 53' ' ' TYR . 71.4 mt -126.16 -79.87 0.6 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.355 -0.841 . . . . 0.0 109.912 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 49.56 -171.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.261 -0.899 . . . . 0.0 111.353 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 109.699 -1.36 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.29 -161.47 0.1 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.598 -0.942 . . . . 0.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 pt -141.89 -170.81 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.419 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.76 169.81 17.65 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.544 -0.722 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -110.03 169.17 8.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.701 . . . . 0.0 110.113 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.9 p -114.16 -176.02 2.81 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.705 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -72.88 -34.06 66.44 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.494 -0.754 . . . . 0.0 110.215 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.44 -43.18 60.91 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.541 -0.724 . . . . 0.0 110.359 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.03 -36.23 83.33 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.443 -0.786 . . . . 0.0 110.162 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.91 -51.1 68.24 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.504 -0.748 . . . . 0.0 110.274 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.33 -34.44 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 109.766 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.64 -31.23 72.35 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.47 -0.769 . . . . 0.0 109.947 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 17' ' ' VAL . 65.1 mt -74.9 -40.69 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.598 -0.688 . . . . 0.0 109.556 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.2 tp -65.71 -59.75 3.59 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.588 -0.695 . . . . 0.0 109.647 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -51.25 -43.51 61.52 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.565 -0.709 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.405 ' CG ' ' HG3' ' A' ' 36' ' ' MET . 26.9 t80 -62.79 -53.35 55.57 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.561 -0.712 . . . . 0.0 109.92 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.3 t -58.35 -55.67 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.564 -0.71 . . . . 0.0 110.14 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -58.0 -21.11 43.26 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.574 -0.704 . . . . 0.0 110.716 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.51 -22.03 30.34 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.437 -0.789 . . . . 0.0 111.011 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.76 ' HB2' HD21 ' A' ' 32' ' ' LEU . 20.6 m-20 -125.99 -55.57 1.48 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.319 -0.863 . . . . 0.0 110.5 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.828 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -57.57 -97.96 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.536 -0.727 . . . . 0.0 110.545 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 50.99 24.88 2.0 Allowed 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.663 -1.273 . . . . 0.0 111.02 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.9 p -154.72 162.32 27.38 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.507 -0.746 . . . . 0.0 110.078 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -76.65 61.46 6.92 Favored 'Trans proline' 0 C--N 1.316 -1.167 0 O-C-N 123.36 1.189 . . . . 0.0 110.616 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.4 m -155.34 -62.78 0.12 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.377 -0.827 . . . . 0.0 110.215 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.769 ' OG ' HD13 ' A' ' 32' ' ' LEU . 68.4 m -58.9 -54.77 43.32 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.466 -0.771 . . . . 0.0 110.199 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.659 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -64.8 -19.81 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.605 -0.684 . . . . 0.0 110.774 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.1 m -92.35 -29.83 16.13 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.371 -0.831 . . . . 0.0 110.372 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.68 -149.28 23.63 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -143.2 23.26 1.85 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.564 -0.962 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.48 -53.52 4.4 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.454 -0.779 . . . . 0.0 110.632 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD22 ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -55.89 -26.46 47.41 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.393 -0.817 . . . . 0.0 110.345 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.645 ' HE3' HD12 ' A' ' 49' ' ' LEU . 68.7 m95 -82.82 -45.02 14.81 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.2 mttt -58.9 -42.64 90.07 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.691 -0.63 . . . . 0.0 109.7 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.13 -39.36 93.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.703 -0.623 . . . . 0.0 109.628 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.544 ' SD ' HD13 ' A' ' 49' ' ' LEU . 23.9 ttm -57.24 -38.2 73.45 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.525 -0.734 . . . . 0.0 109.875 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -75.35 -29.73 60.01 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.743 -0.598 . . . . 0.0 109.832 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -105.0 23.54 13.41 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.553 -0.717 . . . . 0.0 110.731 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.0 p -129.71 -53.15 1.15 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.334 -0.854 . . . . 0.0 110.305 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.0 t -167.14 87.64 0.29 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.473 -0.767 . . . . 0.0 110.522 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 42' ' ' THR . 2.7 tt -157.82 157.24 32.93 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.486 -0.759 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.568 ' N ' HD23 ' A' ' 41' ' ' LEU . 77.0 p -64.55 -165.23 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.511 -0.743 . . . . 0.0 110.239 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.13 76.56 3.68 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.49 -0.756 . . . . 0.0 110.595 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m-70 -135.99 177.4 7.86 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.423 -0.798 . . . . 0.0 111.01 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.65 149.13 41.22 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.808 -0.557 . . . . 0.0 110.131 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 9.7 p-90 -56.4 -38.73 71.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.678 -0.639 . . . . 0.0 110.18 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.5 tt0 -56.3 -37.28 69.69 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.574 -0.704 . . . . 0.0 110.587 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -65.01 0.77 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.559 -0.713 . . . . 0.0 110.063 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.5 OUTLIER -55.91 -27.97 54.6 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.582 -0.699 . . . . 0.0 111.124 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -75.93 -51.4 12.52 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.172 -0.955 . . . . 0.0 109.303 178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -62.22 -34.08 75.79 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.517 -0.74 . . . . 0.0 109.78 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.436 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -64.65 -34.0 77.27 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.679 -0.638 . . . . 0.0 109.658 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.66 ' HA ' HD12 ' A' ' 57' ' ' LEU . 46.9 t80 -61.07 -41.35 96.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.569 -0.707 . . . . 0.0 109.485 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -83.61 -22.29 32.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.638 -0.663 . . . . 0.0 110.326 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -58.74 -50.44 73.9 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.396 -0.815 . . . . 0.0 110.249 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -169.33 49.89 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.367 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.66 HD12 ' HA ' ' A' ' 53' ' ' TYR . 93.9 mt -130.57 -53.74 1.08 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.348 -0.845 . . . . 0.0 110.094 178.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -56.09 173.61 0.15 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.49 -0.756 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.599 -179.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -64.45 142.97 58.23 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.543 -0.975 . . . . 0.0 110.175 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.428 HG13 ' CE1' ' A' ' 44' ' ' HIS . 1.2 pp -131.47 42.91 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.503 -0.748 . . . . 0.0 110.29 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.16 -169.61 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.369 -0.832 . . . . 0.0 110.681 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -138.41 125.77 21.77 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.557 -0.714 . . . . 0.0 110.278 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.7 t -63.47 -154.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.53 -0.731 . . . . 0.0 109.887 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -89.3 -48.26 7.48 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.399 -0.813 . . . . 0.0 110.564 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.22 -46.95 79.31 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.517 -0.739 . . . . 0.0 110.692 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.475 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -58.93 -41.64 87.84 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.504 -0.748 . . . . 0.0 110.417 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.69 -29.11 66.37 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.364 -0.835 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -78.38 -53.61 13.64 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.489 -0.757 . . . . 0.0 110.135 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.31 -36.79 78.71 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.615 -0.678 . . . . 0.0 110.32 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.766 HG23 HD11 ' A' ' 49' ' ' LEU . 66.4 mt -70.56 -34.32 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.626 -0.671 . . . . 0.0 109.724 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.8 tp -73.86 -60.02 2.45 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.495 -0.753 . . . . 0.0 109.806 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 m -50.05 -33.87 19.71 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.588 -0.695 . . . . 0.0 111.068 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -74.86 -34.09 62.2 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.532 -0.73 . . . . 0.0 109.661 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.795 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 98.5 t -83.3 -28.95 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.58 -0.7 . . . . 0.0 109.84 179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.1 tptt -76.11 -22.41 55.55 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.439 -0.788 . . . . 0.0 110.548 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -88.63 -36.6 16.18 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.45 -0.781 . . . . 0.0 110.429 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.831 ' HB2' HD21 ' A' ' 32' ' ' LEU . 71.7 m-20 -98.79 -62.32 1.25 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.438 -0.789 . . . . 0.0 111.046 -179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.795 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.49 112.67 0.68 Allowed 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.456 -0.777 . . . . 0.0 111.648 -178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.9 tpt85 -168.58 32.77 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.804 -0.56 . . . . 0.0 109.658 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.2 p -163.93 169.88 7.7 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.7 -0.625 . . . . 0.0 109.915 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.35 66.74 7.86 Favored 'Trans proline' 0 C--N 1.317 -1.108 0 O-C-N 123.344 1.181 . . . . 0.0 110.608 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.82 -42.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.382 -0.824 . . . . 0.0 110.138 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.562 ' HB3' HD22 ' A' ' 32' ' ' LEU . 2.9 m -67.55 -68.57 0.37 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.733 -0.605 . . . . 0.0 110.443 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.6 m -68.6 -18.89 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.57 -0.706 . . . . 0.0 111.153 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.529 HG23 HG23 ' A' ' 27' ' ' VAL . 74.3 p -95.27 -26.05 16.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.296 -0.878 . . . . 0.0 110.451 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -100.12 -165.75 28.92 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -126.44 29.0 5.85 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.614 -0.933 . . . . 0.0 109.895 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.41 -52.45 4.91 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.679 -0.638 . . . . 0.0 110.381 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 ' HB2' ' A' ' 20' ' ' ASN . 2.5 tp -60.76 -27.41 67.95 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.64 -0.663 . . . . 0.0 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.819 ' CE3' HD12 ' A' ' 49' ' ' LEU . 56.9 m95 -82.31 -51.25 8.07 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.579 -0.701 . . . . 0.0 109.407 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HG2' ' CG ' ' A' ' 46' ' ' TRP . 0.3 OUTLIER -54.74 -46.28 74.26 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.532 -0.73 . . . . 0.0 110.32 179.236 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.45 87.54 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.643 -0.66 . . . . 0.0 110.014 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.1 ttm -57.69 -45.99 84.92 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.567 -0.708 . . . . 0.0 110.025 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.58 -36.84 83.99 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.681 -0.637 . . . . 0.0 109.995 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 12.52 23.72 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.563 -0.711 . . . . 0.0 110.835 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.3 t -122.26 -73.29 0.65 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.196 -0.94 . . . . 0.0 110.17 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 t -147.42 85.33 1.58 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.474 -0.767 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.61 -136.07 0.16 Allowed 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.45 -153.48 0.48 Allowed 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.649 -1.282 . . . . 0.0 109.678 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.15 75.56 0.96 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.298 -0.876 . . . . 0.0 110.132 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.428 ' CE1' HG13 ' A' ' 3' ' ' ILE . 2.6 m-70 -161.01 168.46 24.45 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.569 -0.707 . . . . 0.0 110.738 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.6 157.76 21.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.8 -0.563 . . . . 0.0 109.58 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CG ' ' HG2' ' A' ' 34' ' ' LYS . 10.7 p-90 -60.75 -33.09 72.42 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.594 -0.691 . . . . 0.0 109.875 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -57.84 -60.09 4.24 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.674 -0.641 . . . . 0.0 110.229 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.9 t -58.88 -28.31 66.02 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.539 -0.726 . . . . 0.0 109.659 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.819 HD12 ' CE3' ' A' ' 33' ' ' TRP . 0.2 OUTLIER -67.46 -55.85 11.94 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.669 -0.644 . . . . 0.0 109.521 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 33' ' ' TRP . 20.1 tptp -62.2 -42.7 99.54 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.772 -0.58 . . . . 0.0 110.225 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -58.63 -33.72 70.37 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.567 -0.708 . . . . 0.0 110.186 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.536 ' NH1' HD21 ' A' ' 57' ' ' LEU . 1.4 tpt85 -67.7 -41.19 83.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.658 -0.651 . . . . 0.0 109.62 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . 3.7 t80 -60.88 -35.5 76.79 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.444 -0.785 . . . . 0.0 110.116 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.74 -28.25 18.41 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.55 -0.719 . . . . 0.0 110.497 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 11.5 mmtt -54.8 -56.2 21.99 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.545 -0.722 . . . . 0.0 111.057 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -159.4 45.22 0.26 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.481 -0.762 . . . . 0.0 111.921 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' NH1' ' A' ' 52' ' ' ARG . 62.2 mt -127.93 -57.57 1.25 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.373 -0.829 . . . . 0.0 109.758 178.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 tpt85 -100.76 125.93 47.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.646 -0.659 . . . . 0.0 110.379 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.529 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.605 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.737 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 53.08 85.58 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.479 -1.012 . . . . 0.0 110.686 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' ILE . 8.2 tp -70.72 69.56 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.572 -0.705 . . . . 0.0 110.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.07 173.07 10.69 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.44 -0.787 . . . . 0.0 110.013 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -134.41 87.75 2.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.515 -0.741 . . . . 0.0 110.361 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.6 t -69.37 -171.75 0.38 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.566 -0.709 . . . . 0.0 110.132 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.6 OUTLIER -61.39 -36.53 80.51 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.529 -0.732 . . . . 0.0 110.722 -179.657 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.64 -61.57 1.9 Allowed 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.53 -0.731 . . . . 0.0 110.448 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.84 -26.37 58.22 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.532 -0.73 . . . . 0.0 110.65 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -71.9 -45.74 60.19 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.496 -0.753 . . . . 0.0 110.543 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 7' ' ' ASP . 90.9 t -59.62 -36.24 64.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.383 -0.823 . . . . 0.0 109.889 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.21 99.05 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.617 -0.677 . . . . 0.0 109.795 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 17' ' ' VAL . 38.8 mt -72.07 -44.36 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.563 -0.711 . . . . 0.0 109.42 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.0 tp -51.98 -56.21 15.62 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.391 -0.818 . . . . 0.0 110.405 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.2 m -58.23 -47.98 81.83 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.581 -0.699 . . . . 0.0 110.36 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 36' ' ' MET . 33.1 t80 -60.4 -44.5 95.64 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.583 -0.698 . . . . 0.0 110.455 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 13' ' ' ILE . 84.1 t -63.99 -60.53 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.48 -0.763 . . . . 0.0 110.069 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -18.94 36.2 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.59 -0.694 . . . . 0.0 111.169 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -81.63 -33.69 31.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.262 -0.899 . . . . 0.0 111.204 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.903 ' HB3' HD11 ' A' ' 32' ' ' LEU . 44.6 m-20 -108.6 -54.8 2.47 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.309 -0.869 . . . . 0.0 111.089 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.623 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -48.29 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.551 -0.718 . . . . 0.0 111.71 -178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 50.26 25.53 1.86 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.881 -1.137 . . . . 0.0 111.076 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.9 p -164.85 155.75 12.82 Favored Pre-proline 0 N--CA 1.496 1.856 0 O-C-N 121.407 -0.808 . . . . 0.0 110.728 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -77.11 64.88 7.86 Favored 'Trans proline' 0 C--N 1.318 -1.051 0 O-C-N 123.45 1.237 . . . . 0.0 109.992 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.6 m -154.17 -52.07 0.1 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.56 -0.712 . . . . 0.0 109.989 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.78 ' OG ' HD13 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -73.84 -43.31 59.08 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.59 -0.694 . . . . 0.0 110.147 179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -70.1 -27.89 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.463 -0.773 . . . . 0.0 110.413 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 t -94.42 -24.63 17.26 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.525 -0.734 . . . . 0.0 110.189 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.17 -156.47 26.27 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -137.44 21.81 2.94 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.597 -0.943 . . . . 0.0 110.529 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.24 -56.86 2.99 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.286 -0.884 . . . . 0.0 110.597 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.5 OUTLIER -54.91 -28.26 49.41 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.329 -0.857 . . . . 0.0 110.22 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.68 ' HE3' HD12 ' A' ' 49' ' ' LEU . 75.7 m95 -81.5 -47.23 13.4 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -59.71 -45.48 92.01 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.347 0.594 . . . . 0.0 109.955 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.97 -44.07 93.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.551 -0.718 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.473 ' SD ' HD13 ' A' ' 49' ' ' LEU . 31.5 ttm -56.03 -34.16 65.6 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.525 -0.734 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -73.56 -27.06 61.13 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.625 -0.672 . . . . 0.0 110.352 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -113.48 22.82 13.79 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.49 -0.756 . . . . 0.0 110.635 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 85.1 p -125.59 -54.76 1.54 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.329 -0.857 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -165.8 79.47 0.29 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.516 -0.74 . . . . 0.0 110.636 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' HG2' ' A' ' 36' ' ' MET . 3.9 tp -156.56 157.71 35.84 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.553 -0.717 . . . . 0.0 110.037 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 p -58.11 -178.0 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.49 -0.756 . . . . 0.0 110.172 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.97 93.63 2.72 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.531 -0.731 . . . . 0.0 109.994 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.85 170.0 18.58 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.767 -0.583 . . . . 0.0 110.632 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.66 142.35 31.26 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.757 179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 17.8 p-90 -55.24 -33.91 63.54 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.567 -0.708 . . . . 0.0 110.159 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -61.34 -41.15 96.57 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.766 -0.584 . . . . 0.0 110.218 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.65 -66.53 0.52 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.525 -0.734 . . . . 0.0 109.937 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.68 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.4 OUTLIER -56.65 -25.26 53.07 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.625 -0.672 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -56.88 4.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.305 -0.872 . . . . 0.0 109.411 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.81 -26.67 62.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.609 -0.682 . . . . 0.0 110.197 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.24 -38.99 68.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.48 -0.762 . . . . 0.0 110.258 179.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.764 ' HA ' HD12 ' A' ' 57' ' ' LEU . 30.3 t80 -57.75 -41.28 81.62 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.48 -0.762 . . . . 0.0 110.288 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.03 -21.48 26.08 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 119.746 -0.782 . . . . 0.0 110.407 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.4 mmmt -59.29 -50.65 73.19 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.319 -0.863 . . . . 0.0 110.242 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -168.21 49.77 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.735 179.665 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.764 HD12 ' HA ' ' A' ' 53' ' ' TYR . 79.7 mt -126.61 -72.84 0.63 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.932 178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 52.16 68.68 0.78 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.386 -0.822 . . . . 0.0 110.803 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.502 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.2 mtt180 -110.05 -171.5 1.85 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.568 -0.96 . . . . 0.0 110.124 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 4' ' ' ALA . 75.6 mt -130.65 168.58 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.556 -0.715 . . . . 0.0 109.867 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.491 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -59.05 157.25 10.43 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.5 -0.75 . . . . 0.0 111.185 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -143.97 80.63 1.66 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.88 -0.513 . . . . 0.0 110.046 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -80.46 177.0 9.29 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.75 -0.594 . . . . 0.0 110.311 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.01 -42.11 97.82 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.58 -0.7 . . . . 0.0 110.218 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.34 -30.88 65.18 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.15 -52.33 24.39 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.562 -0.711 . . . . 0.0 110.316 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -34.95 70.56 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.379 -0.826 . . . . 0.0 110.378 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -77.06 -32.71 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.545 -0.722 . . . . 0.0 109.562 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.07 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.606 -0.684 . . . . 0.0 109.617 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.66 ' CD1' HD22 ' A' ' 49' ' ' LEU . 48.5 mm -70.65 -33.92 54.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.689 -0.632 . . . . 0.0 109.686 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.1 -60.16 3.32 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.562 -0.712 . . . . 0.0 109.856 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -51.86 -34.21 39.75 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.245 -0.909 . . . . 0.0 110.629 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 25.5 t80 -76.1 -54.43 6.84 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.626 -0.671 . . . . 0.0 110.09 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.673 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.0 t -61.74 -42.44 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.71 -0.619 . . . . 0.0 110.118 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -57.89 -38.19 75.36 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.355 -0.841 . . . . 0.0 110.334 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -59.6 2.65 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.541 -0.724 . . . . 0.0 110.168 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.886 ' CB ' HD21 ' A' ' 32' ' ' LEU . 64.7 m-20 -78.51 -64.23 1.22 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.609 -0.682 . . . . 0.0 110.563 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.943 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -57.99 117.05 3.91 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.561 -0.712 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -161.46 -43.33 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.735 -0.603 . . . . 0.0 109.549 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 p -85.04 170.51 13.21 Favored Pre-proline 0 N--CA 1.494 1.753 0 O-C-N 121.622 -0.674 . . . . 0.0 110.371 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.12 63.14 6.88 Favored 'Trans proline' 0 C--N 1.317 -1.081 0 O-C-N 123.367 1.193 . . . . 0.0 110.149 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 83.8 p -156.12 -52.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.566 -0.708 . . . . 0.0 110.442 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.682 ' OG ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -62.14 -72.38 0.13 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.546 -0.721 . . . . 0.0 110.486 -179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.943 HG13 ' HB1' ' A' ' 21' ' ' ALA . 35.4 m -58.31 -24.31 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.936 0 O-C-N 121.525 -0.734 . . . . 0.0 110.755 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.5 m -86.96 -23.24 25.16 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.524 -0.735 . . . . 0.0 110.798 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.95 -163.1 22.14 Favored Glycine 0 N--CA 1.492 2.389 0 N-CA-C 109.728 -1.349 . . . . 0.0 109.728 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -128.61 29.62 5.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.603 -0.939 . . . . 0.0 110.144 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.85 -52.89 4.64 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.5 -0.75 . . . . 0.0 110.193 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.886 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.4 tp -58.49 -35.4 72.15 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 121.615 0.721 . . . . 0.0 109.645 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.4 m95 -75.53 -43.11 50.48 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -58.13 -40.31 80.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.649 -0.657 . . . . 0.0 109.976 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.82 -44.8 93.83 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.623 -0.673 . . . . 0.0 109.867 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -59.11 -42.87 91.58 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.625 -0.672 . . . . 0.0 110.028 179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -53.41 -36.96 62.06 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.372 -0.83 . . . . 0.0 110.832 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? -95.11 -5.9 43.16 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.64 -0.663 . . . . 0.0 111.319 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.9 t -167.75 64.09 0.08 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.133 -0.979 . . . . 0.0 110.435 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -106.74 173.24 6.41 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.496 -0.753 . . . . 0.0 110.089 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -36.56 74.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 109.734 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.99 -154.27 0.54 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.541 -0.724 . . . . 0.0 109.41 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -124.32 104.79 8.99 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.397 -0.814 . . . . 0.0 110.447 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' CE1' ' HB ' ' A' ' 3' ' ' ILE . 1.3 m-70 -151.83 159.84 43.75 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.635 -0.666 . . . . 0.0 110.36 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.68 142.87 30.45 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.707 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 13.3 p-90 -49.64 -37.52 28.59 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 111.391 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 7.0 tt0 -69.42 -45.48 69.09 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.599 -0.688 . . . . 0.0 110.287 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.4 t -55.73 -27.14 49.0 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.499 -0.751 . . . . 0.0 110.347 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD22 ' CD1' ' A' ' 13' ' ' ILE . 58.9 mt -84.01 -32.87 24.69 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.558 -0.714 . . . . 0.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -44.28 63.32 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.309 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -67.95 -39.22 83.46 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.579 -0.701 . . . . 0.0 110.701 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -66.41 -34.01 77.0 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.501 -0.749 . . . . 0.0 110.239 -179.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 16.1 t80 -61.66 -57.88 10.27 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.291 -0.881 . . . . 0.0 110.179 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mt -71.58 -21.59 61.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.452 -0.78 . . . . 0.0 110.402 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 1.8 mmtt -56.88 -49.96 73.94 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.359 -0.838 . . . . 0.0 110.417 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.1 45.69 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.395 -0.815 . . . . 0.0 111.613 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 77.8 mt -125.84 -77.26 0.58 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.403 -0.811 . . . . 0.0 109.98 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 52.22 26.82 4.2 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.28 -0.887 . . . . 0.0 111.003 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 118.006 -1.441 . . . . 0.0 109.779 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.624 -1.39 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 mmt-85 53.95 176.27 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.462 -1.023 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.549 HG23 ' CE1' ' A' ' 44' ' ' HIS . 14.0 tt -67.34 162.11 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.512 -0.743 . . . . 0.0 109.722 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.95 -173.23 3.42 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.514 -0.742 . . . . 0.0 110.68 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -111.89 104.5 12.8 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.769 -0.582 . . . . 0.0 110.128 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.7 p -78.42 -163.86 0.5 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.432 -0.792 . . . . 0.0 110.082 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 74.6 m-20 -72.45 -36.56 68.55 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.506 -0.746 . . . . 0.0 110.387 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.45 -38.73 71.28 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.483 -0.761 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -67.05 -31.6 72.22 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.506 -0.746 . . . . 0.0 110.224 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.07 -35.38 76.46 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.067 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.8 t -72.19 -35.81 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.505 -0.747 . . . . 0.0 109.862 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' CA ' HD11 ' A' ' 41' ' ' LEU . . . -68.96 -53.41 20.9 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.012 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 82.0 mt -58.6 -50.14 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.514 -0.741 . . . . 0.0 109.845 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 55.0 tp -59.59 -59.0 6.14 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.502 -0.749 . . . . 0.0 109.786 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.1 m -56.24 -46.92 79.38 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.43 -0.794 . . . . 0.0 110.589 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.501 ' CG ' HD22 ' A' ' 41' ' ' LEU . 87.2 t80 -59.93 -55.53 32.89 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.394 -0.817 . . . . 0.0 110.107 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.621 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 56.2 t -56.93 -42.7 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.501 -0.749 . . . . 0.0 109.917 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -63.07 -23.47 67.46 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.603 -0.685 . . . . 0.0 110.474 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -86.66 -34.53 19.75 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.436 -0.79 . . . . 0.0 110.761 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.67 ' HB3' HD11 ' A' ' 32' ' ' LEU . 74.2 m-20 -102.12 -57.98 1.96 Allowed 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.53 -0.731 . . . . 0.0 110.247 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.749 ' N ' HD21 ' A' ' 32' ' ' LEU . . . -48.42 101.12 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.496 -0.753 . . . . 0.0 111.457 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.29 -42.83 1.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.641 -0.662 . . . . 0.0 109.613 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -94.36 157.73 36.92 Favored Pre-proline 0 N--CA 1.493 1.701 0 O-C-N 121.623 -0.673 . . . . 0.0 109.91 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -75.11 62.17 5.9 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.296 1.156 . . . . 0.0 110.348 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.04 -46.01 0.08 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.461 -0.774 . . . . 0.0 110.121 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.731 ' HB2' HD22 ' A' ' 32' ' ' LEU . 85.7 p -58.06 -29.08 65.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.473 -0.767 . . . . 0.0 110.285 179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG22 ' H ' ' A' ' 27' ' ' VAL . 34.5 m -88.91 -26.01 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.53 -0.731 . . . . 0.0 110.341 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -87.37 -32.63 19.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.455 -0.778 . . . . 0.0 109.22 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.06 -154.43 13.62 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -139.94 27.08 2.21 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.517 -0.99 . . . . 0.0 110.335 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.18 -51.06 5.5 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.366 -0.834 . . . . 0.0 110.641 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.749 HD21 ' N ' ' A' ' 21' ' ' ALA . 3.0 tp -56.91 -32.4 65.89 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.502 -0.749 . . . . 0.0 110.055 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -80.0 -46.86 15.87 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -59.62 -42.96 93.86 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.829 -0.544 . . . . 0.0 109.774 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.8 -42.32 88.82 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.624 -0.672 . . . . 0.0 109.953 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 20.6 ttm -51.14 -43.39 61.19 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.56 -0.712 . . . . 0.0 110.295 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -67.64 -36.15 80.24 Favored 'General case' 0 N--CA 1.495 1.804 0 C-N-CA 120.26 -0.576 . . . . 0.0 109.911 179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.89 26.77 7.71 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.567 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.2 t -133.54 -71.86 0.51 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.501 -0.749 . . . . 0.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.0 t -172.39 -160.23 0.14 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.384 -0.823 . . . . 0.0 110.239 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER 49.21 101.33 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.925 0 CA-C-O 121.354 0.597 . . . . 0.0 111.203 179.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 37.5 p 48.55 -173.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.675 -0.641 . . . . 0.0 110.9 -179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -154.28 101.21 2.36 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.552 -0.717 . . . . 0.0 110.603 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HB2' HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -122.13 -176.89 3.45 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.511 -0.743 . . . . 0.0 109.877 179.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.553 ' O ' ' CD1' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -93.15 20.82 6.45 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.514 -0.741 . . . . 0.0 111.397 -179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.744 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 62.25 -24.51 0.05 Allowed 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -69.87 -65.0 0.78 Allowed 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.521 -1.362 . . . . 0.0 110.671 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 t -53.89 -22.97 11.16 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.602 -0.686 . . . . 0.0 111.029 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 46' ' ' TRP . 65.9 mt -76.01 -54.79 6.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -69.42 -36.99 77.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.544 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -60.43 -52.05 66.89 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.542 -0.724 . . . . 0.0 110.485 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -62.02 -28.77 69.82 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.513 -0.742 . . . . 0.0 110.445 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.519 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.6 t80 -62.44 -39.99 95.14 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.391 -0.818 . . . . 0.0 110.125 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.08 -3.65 56.96 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.332 -0.855 . . . . 0.0 110.91 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -81.07 -44.65 17.69 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.238 -0.914 . . . . 0.0 110.785 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.427 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -159.28 25.44 0.2 Allowed 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.432 -0.792 . . . . 0.0 111.102 -179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 53' ' ' TYR . 57.5 mt -115.63 -59.39 2.0 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.379 -0.826 . . . . 0.0 109.934 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.09 85.94 7.26 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.638 -0.664 . . . . 0.0 110.124 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.444 0 N-CA-C 109.425 -1.47 . . . . 0.0 109.425 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 54.1 174.78 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.492 -1.004 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 44' ' ' HIS . 16.1 tt -62.57 164.49 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.581 -0.699 . . . . 0.0 110.339 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.87 -161.75 0.88 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.533 -0.729 . . . . 0.0 109.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 44' ' ' HIS . 52.3 m-85 -125.88 132.39 52.18 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.51 -0.744 . . . . 0.0 110.04 179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -70.61 163.64 26.57 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.543 -0.723 . . . . 0.0 109.964 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.15 -37.33 64.28 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.428 -0.795 . . . . 0.0 110.493 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.65 94.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.481 -0.762 . . . . 0.0 109.698 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -32.79 69.7 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.606 -0.684 . . . . 0.0 109.835 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.83 -42.97 99.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.601 -0.687 . . . . 0.0 109.959 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' ' 15' ' ' THR . 61.8 t -63.76 -41.5 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.586 -0.696 . . . . 0.0 109.546 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.86 99.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.64 -0.663 . . . . 0.0 110.018 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 44.7 mt -73.38 -29.54 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.628 -0.67 . . . . 0.0 109.874 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.59 -59.22 3.1 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.597 -0.69 . . . . 0.0 109.588 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.4 t -55.69 -36.86 67.63 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.48 -0.762 . . . . 0.0 110.467 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 66.4 t80 -66.36 -53.94 30.22 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.63 -0.669 . . . . 0.0 109.934 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 43.8 t -60.18 -43.85 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 121.594 -0.692 . . . . 0.0 110.07 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.52 -19.07 64.47 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.585 -0.697 . . . . 0.0 111.023 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -92.39 -44.04 8.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.259 -0.901 . . . . 0.0 111.359 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.757 ' HB3' HD11 ' A' ' 32' ' ' LEU . 53.9 m-20 -87.11 -57.82 2.82 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.385 -0.822 . . . . 0.0 110.875 -179.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -41.76 100.84 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.385 0 CA-C-O 121.522 0.677 . . . . 0.0 112.463 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -147.32 29.02 0.97 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 p -153.33 172.68 5.38 Favored Pre-proline 0 N--CA 1.493 1.691 0 O-C-N 121.688 -0.632 . . . . 0.0 109.967 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -81.2 5.6 6.14 Favored 'Trans proline' 0 C--N 1.318 -1.028 0 O-C-N 123.287 1.151 . . . . 0.0 111.866 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -126.51 14.43 7.62 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.022 -1.049 . . . . 0.0 111.134 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 p -90.71 -55.49 3.55 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.24 -0.912 . . . . 0.0 110.603 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -81.6 -37.12 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.504 -0.748 . . . . 0.0 111.253 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 28' ' ' THR . 7.9 t -88.74 -16.73 31.49 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.399 -0.813 . . . . 0.0 111.019 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.56 -154.59 31.21 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -132.69 26.4 4.36 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.574 -0.956 . . . . 0.0 110.222 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.49 -58.74 2.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.488 -0.757 . . . . 0.0 110.318 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.757 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.72 -39.4 77.19 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.397 -0.815 . . . . 0.0 109.957 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -68.39 -54.76 15.05 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.658 -0.651 . . . . 0.0 109.716 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -55.2 -39.59 69.79 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.338 -0.851 . . . . 0.0 110.547 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -41.53 71.6 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.431 -0.793 . . . . 0.0 109.997 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.668 ' CE ' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -66.42 -42.52 87.62 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.657 . . . . 0.0 109.768 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -53.55 -27.58 26.91 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.409 -0.807 . . . . 0.0 111.088 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -33.08 20.75 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.416 -0.803 . . . . 0.0 110.427 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.13 65.75 0.84 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.54 -0.725 . . . . 0.0 109.879 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -89.8 -177.55 5.27 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.567 -0.708 . . . . 0.0 110.576 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.34 -26.84 14.02 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.77 -0.581 . . . . 0.0 109.819 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 p -108.93 -167.96 1.28 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.63 -0.669 . . . . 0.0 109.82 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -112.69 92.42 4.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.525 -0.734 . . . . 0.0 110.539 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' A' ' 3' ' ' ILE . 0.8 OUTLIER -161.26 172.8 16.02 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.545 -0.722 . . . . 0.0 110.151 179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -99.49 -168.61 1.63 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.626 -0.671 . . . . 0.0 110.079 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 14.9 p-90 -95.7 -29.57 14.21 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.207 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -55.17 -71.95 0.07 Allowed 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.459 -0.776 . . . . 0.0 110.395 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.91 -25.06 26.63 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.4 -0.813 . . . . 0.0 110.185 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.668 HD21 ' CE ' ' A' ' 36' ' ' MET . 24.7 tp -73.13 -42.03 63.33 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.688 -0.633 . . . . 0.0 110.107 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -43.49 52.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.657 -0.652 . . . . 0.0 110.084 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -63.45 -38.63 91.89 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.622 -0.674 . . . . 0.0 110.16 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -63.5 -39.21 93.84 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.539 -0.725 . . . . 0.0 110.494 -179.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.505 ' HA ' HD12 ' A' ' 57' ' ' LEU . 12.9 t80 -64.96 -38.64 91.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.252 -0.905 . . . . 0.0 110.447 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.1 mt -90.44 -18.18 25.84 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.451 -0.781 . . . . 0.0 110.793 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -65.81 -45.03 83.83 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.297 -0.877 . . . . 0.0 110.451 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.444 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -168.13 44.49 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.983 179.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.6 mt -128.9 -49.88 1.23 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.293 -0.879 . . . . 0.0 110.024 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.15 164.85 0.8 Allowed 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.419 -0.8 . . . . 0.0 110.699 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.399 0 CA-C-O 117.879 -1.512 . . . . 0.0 109.41 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.642 0 N-CA-C 110.0 -1.24 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.91 170.04 23.24 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.98 . . . . 0.0 110.258 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.97 -160.55 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.549 -0.72 . . . . 0.0 109.935 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.43 178.03 6.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.536 -0.727 . . . . 0.0 110.642 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 35.9 m-85 -127.63 133.58 49.67 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.638 -0.664 . . . . 0.0 109.835 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.4 t -104.43 -157.84 0.63 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.549 -0.719 . . . . 0.0 110.091 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.57 -39.42 62.26 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.476 -0.765 . . . . 0.0 110.635 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -55.1 28.81 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.481 -0.762 . . . . 0.0 110.501 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -56.4 -33.58 65.9 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.49 -0.756 . . . . 0.0 110.714 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -61.47 -45.3 94.82 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.56 -0.712 . . . . 0.0 110.117 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -64.41 -39.37 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.582 -0.699 . . . . 0.0 110.039 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.12 96.19 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.539 -0.726 . . . . 0.0 110.037 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -71.07 -30.78 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.622 -0.674 . . . . 0.0 109.926 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.8 tp -77.99 -60.61 2.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.456 -0.778 . . . . 0.0 109.665 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.787 HG22 ' OE2' ' A' ' 19' ' ' GLU . 21.8 m -51.67 -51.13 58.31 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.462 -0.774 . . . . 0.0 111.032 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CD1' ' HE2' ' A' ' 36' ' ' MET . 41.7 t80 -53.91 -49.22 69.1 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.323 -0.861 . . . . 0.0 110.437 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 71.1 t -63.57 -45.71 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.684 -0.635 . . . . 0.0 109.744 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -60.43 -20.19 58.92 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.435 -0.791 . . . . 0.0 110.732 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.787 ' OE2' HG22 ' A' ' 15' ' ' THR . 0.4 OUTLIER -82.08 -57.96 3.17 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.364 -0.835 . . . . 0.0 110.528 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.925 ' HB3' HD11 ' A' ' 32' ' ' LEU . 38.7 m-20 -89.1 -56.32 3.33 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.439 -0.788 . . . . 0.0 110.202 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.734 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -51.92 128.84 25.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.467 -0.77 . . . . 0.0 111.35 -179.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mtt85 -156.96 -45.47 0.07 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.741 -0.599 . . . . 0.0 109.538 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.3 p -89.89 169.84 11.66 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.673 -0.642 . . . . 0.0 109.92 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -78.14 61.45 7.74 Favored 'Trans proline' 0 C--N 1.315 -1.185 0 O-C-N 123.33 1.174 . . . . 0.0 110.147 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 94.9 p -155.15 -46.42 0.08 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.483 -0.76 . . . . 0.0 110.254 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB2' HD22 ' A' ' 32' ' ' LEU . 2.4 p -66.12 -27.23 67.88 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.569 -0.707 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.748 HG23 HG23 ' A' ' 28' ' ' THR . 34.3 m -87.39 -20.78 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.486 -0.759 . . . . 0.0 111.034 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.748 HG23 HG23 ' A' ' 27' ' ' VAL . 62.5 p -104.59 -43.26 5.19 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.278 -0.889 . . . . 0.0 109.988 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.97 165.88 52.72 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.01 -1.636 . . . . 0.0 109.01 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -98.03 33.56 2.12 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.515 -0.991 . . . . 0.0 110.548 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.77 -59.51 2.18 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.521 -0.737 . . . . 0.0 110.688 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.925 HD11 ' HB3' ' A' ' 20' ' ' ASN . 1.5 tp -59.14 -36.82 75.91 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.573 -0.704 . . . . 0.0 110.359 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.476 ' CZ3' HD12 ' A' ' 49' ' ' LEU . 58.7 m95 -70.85 -51.63 25.31 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.539 -0.726 . . . . 0.0 109.454 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -53.83 -38.36 64.53 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.316 -0.865 . . . . 0.0 110.146 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.05 -34.19 75.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.555 -0.716 . . . . 0.0 109.376 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.418 ' HE2' ' CD1' ' A' ' 16' ' ' TYR . 5.9 ttm -71.87 -46.04 59.25 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.78 179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 46' ' ' TRP . 2.8 tm-20 -54.21 -27.63 35.61 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.299 -0.876 . . . . 0.0 110.471 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mtpt -84.29 -36.89 22.3 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.527 -0.733 . . . . 0.0 109.706 179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.8 t -143.28 67.5 1.3 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.572 -0.705 . . . . 0.0 109.734 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 p -90.85 160.36 15.77 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.538 -0.726 . . . . 0.0 110.662 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.45 -29.14 65.64 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.756 -0.59 . . . . 0.0 109.661 179.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 69.3 p -112.33 -156.85 0.6 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.694 -0.629 . . . . 0.0 109.623 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -117.09 80.74 1.53 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.423 -0.798 . . . . 0.0 110.224 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -142.61 179.19 7.12 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.604 -0.685 . . . . 0.0 110.734 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.09 -168.26 1.41 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.746 -0.596 . . . . 0.0 109.635 179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 8.4 p-90 -96.42 -33.91 11.72 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.513 -0.742 . . . . 0.0 110.187 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -56.92 -67.32 0.32 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.586 -0.696 . . . . 0.0 110.401 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -27.85 45.05 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.494 -0.754 . . . . 0.0 109.666 179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.476 HD12 ' CZ3' ' A' ' 33' ' ' TRP . 0.1 OUTLIER -65.39 -57.56 8.03 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 178.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HD3' HD12 ' A' ' 54' ' ' LEU . 5.7 tmtt? -61.72 -41.19 97.3 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.295 0.569 . . . . 0.0 109.893 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -55.34 -46.58 76.37 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.665 -0.647 . . . . 0.0 111.232 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.5 -41.07 93.61 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.472 -0.767 . . . . 0.0 110.874 -179.169 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . 15.0 t80 -56.67 -34.64 67.57 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.286 -0.884 . . . . 0.0 110.321 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.437 HD12 ' HD3' ' A' ' 50' ' ' LYS . 6.7 mt -90.57 -23.33 20.9 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.631 -0.668 . . . . 0.0 110.082 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -56.94 -47.57 80.33 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.424 -0.797 . . . . 0.0 110.292 179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -171.31 52.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.632 -0.667 . . . . 0.0 111.289 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 53' ' ' TYR . 95.5 mt -137.21 -72.4 0.43 Allowed 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.565 -0.709 . . . . 0.0 109.718 178.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.71 -166.11 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.336 -0.852 . . . . 0.0 111.044 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.432 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.57 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 53.82 85.39 0.05 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.447 -1.031 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.539 ' C ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -90.4 118.82 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.493 -0.754 . . . . 0.0 110.229 -179.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.572 ' HB3' ' NE2' ' A' ' 44' ' ' HIS . . . 47.84 26.4 0.91 Allowed 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.573 -0.704 . . . . 0.0 112.042 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -113.42 106.68 14.86 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.464 -0.772 . . . . 0.0 110.495 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -108.47 -171.77 1.92 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.587 -0.696 . . . . 0.0 110.194 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -46.12 89.39 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.539 -0.726 . . . . 0.0 110.216 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.37 -24.47 65.11 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.539 -0.726 . . . . 0.0 110.454 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 13' ' ' ILE . 1.7 m-20 -81.01 -42.13 21.61 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.457 -0.777 . . . . 0.0 110.383 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -59.12 -28.64 66.73 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.607 -0.683 . . . . 0.0 110.625 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -81.61 -41.64 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.585 -0.697 . . . . 0.0 109.735 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.47 91.6 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.512 -0.742 . . . . 0.0 110.194 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.652 HG23 HD11 ' A' ' 49' ' ' LEU . 31.4 mt -67.73 -47.76 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.511 -0.743 . . . . 0.0 109.815 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.3 tp -60.85 -58.04 10.1 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.537 -0.727 . . . . 0.0 109.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' HG3' ' A' ' 19' ' ' GLU . 5.9 m -56.65 -54.4 46.53 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.446 -0.783 . . . . 0.0 110.626 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 56.5 t80 -52.35 -48.08 65.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.48 -0.762 . . . . 0.0 110.676 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 65.8 t -70.12 -41.5 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.671 -0.643 . . . . 0.0 109.969 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -81.37 3.69 23.46 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.615 -0.678 . . . . 0.0 111.611 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HG3' HG22 ' A' ' 15' ' ' THR . 23.5 mm-40 -117.83 -19.93 9.05 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.077 -1.015 . . . . 0.0 111.003 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.811 ' CB ' HD11 ' A' ' 32' ' ' LEU . 27.0 m-20 -107.91 -50.52 3.04 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.309 -0.87 . . . . 0.0 110.021 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -55.58 -68.22 0.22 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.421 -0.799 . . . . 0.0 110.993 -179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.34 24.37 3.81 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.399 -0.813 . . . . 0.0 110.348 -179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 53.6 p -171.59 169.08 3.14 Favored Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.442 -0.786 . . . . 0.0 109.714 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -80.29 4.25 6.98 Favored 'Trans proline' 0 C--N 1.318 -1.035 0 O-C-N 123.327 1.172 . . . . 0.0 111.678 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.4 m -85.66 -45.88 11.27 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.105 -0.997 . . . . 0.0 110.893 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.82 -48.18 48.13 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.349 -0.845 . . . . 0.0 110.817 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.18 -20.38 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.421 -0.799 . . . . 0.0 110.9 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.3 m -128.95 28.54 5.31 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.27 -0.894 . . . . 0.0 110.601 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -128.51 4.64 6.66 Favored Glycine 0 N--CA 1.495 2.584 0 C-N-CA 120.248 -0.977 . . . . 0.0 110.773 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' ND2' ' CH2' ' A' ' 46' ' ' TRP . 5.7 m-20 54.84 17.58 1.84 Allowed 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.091 -1.241 . . . . 0.0 111.451 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -62.8 1.38 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.972 -1.08 . . . . 0.0 109.818 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.8 OUTLIER -57.09 -23.86 49.87 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.621 -0.674 . . . . 0.0 110.298 179.589 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -76.8 -56.22 4.79 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.503 -0.748 . . . . 0.0 109.429 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.0 OUTLIER -54.85 -43.49 73.11 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.093 -1.004 . . . . 0.0 110.278 178.283 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.08 -48.92 64.45 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.661 -0.65 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.705 ' HE1' HD21 ' A' ' 49' ' ' LEU . 1.6 ttm -59.89 -42.66 94.28 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.481 -0.762 . . . . 0.0 109.917 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -33.88 18.72 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.417 -0.802 . . . . 0.0 110.892 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -78.53 -58.32 3.31 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.671 -0.643 . . . . 0.0 110.224 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.32 65.4 0.94 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.489 -0.757 . . . . 0.0 110.202 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 p -84.67 174.18 10.14 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.506 -0.746 . . . . 0.0 110.539 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -84.25 -40.89 17.49 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.799 -0.563 . . . . 0.0 109.625 179.502 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.73 -152.19 0.48 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.538 -0.726 . . . . 0.0 109.17 179.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 1.7 mm100 -116.26 104.06 11.13 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.218 -0.926 . . . . 0.0 110.535 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.572 ' NE2' ' HB3' ' A' ' 4' ' ' ALA . 2.5 m-70 -165.18 171.47 13.67 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.517 -0.74 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -106.51 -169.9 1.64 Allowed 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.619 -0.676 . . . . 0.0 109.773 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.532 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.9 p-90 -92.97 -34.83 13.6 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.564 -0.71 . . . . 0.0 110.142 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -66.85 0.41 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.606 -0.684 . . . . 0.0 110.621 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.8 t -57.24 -25.89 59.86 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.369 -0.832 . . . . 0.0 110.101 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.705 HD21 ' HE1' ' A' ' 36' ' ' MET . 44.6 tp -76.89 -39.8 49.67 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.659 -0.65 . . . . 0.0 109.594 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -74.71 -39.95 61.61 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.758 -0.589 . . . . 0.0 109.933 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.53 -36.42 83.72 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.649 -0.657 . . . . 0.0 110.065 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.657 ' NH1' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -66.07 -38.98 89.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.463 -0.773 . . . . 0.0 110.143 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' ' 57' ' ' LEU . 10.7 t80 -59.23 -41.56 88.97 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.558 -0.714 . . . . 0.0 110.534 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 75.9 mt -86.81 -25.51 24.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.565 -0.71 . . . . 0.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 3.6 mmtp -55.5 -60.13 3.85 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.458 -0.776 . . . . 0.0 110.559 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.415 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -159.35 42.32 0.22 Allowed 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.66 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.657 HD11 ' NH1' ' A' ' 52' ' ' ARG . 45.0 mt -116.94 -73.93 0.63 Allowed 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.317 -0.864 . . . . 0.0 109.394 178.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 14.6 ttp180 51.67 30.03 6.29 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.439 -0.788 . . . . 0.0 110.917 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.427 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 52.44 -176.19 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.46 -1.023 . . . . 0.0 110.658 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 4' ' ' ALA . 79.1 mt -84.3 167.28 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.489 -0.757 . . . . 0.0 110.034 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.497 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -80.59 -178.07 6.55 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.631 -0.668 . . . . 0.0 110.2 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 1.6 m-85 -164.91 79.85 0.35 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.536 -0.727 . . . . 0.0 110.021 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.5 p -70.08 -175.01 0.87 Allowed 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.556 -0.715 . . . . 0.0 110.228 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.691 ' O ' HG23 ' A' ' 11' ' ' VAL . 75.5 m-20 -68.87 -36.29 77.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.565 -0.71 . . . . 0.0 110.071 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.68 89.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.678 -0.639 . . . . 0.0 110.192 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.5 -39.61 92.07 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.613 -0.68 . . . . 0.0 110.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -66.24 -33.12 75.04 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.603 -0.685 . . . . 0.0 110.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 7' ' ' ASP . 80.4 t -62.57 -45.85 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.539 -0.726 . . . . 0.0 109.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.21 91.71 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.574 -0.704 . . . . 0.0 109.998 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.549 HG23 HD11 ' A' ' 49' ' ' LEU . 92.2 mt -65.18 -45.57 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.613 -0.679 . . . . 0.0 109.344 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.2 tp -60.91 -63.16 1.39 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.65 -0.656 . . . . 0.0 109.699 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.0 m -51.94 -39.35 59.08 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.489 -0.757 . . . . 0.0 110.464 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.438 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 36.0 t80 -66.33 -55.42 16.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.664 -0.648 . . . . 0.0 109.552 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.668 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 72.3 t -58.46 -45.31 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.628 -0.67 . . . . 0.0 109.915 179.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -65.98 -14.98 62.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.655 -0.653 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -91.74 -46.76 7.72 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.313 -0.867 . . . . 0.0 110.952 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.919 ' HB3' HD11 ' A' ' 32' ' ' LEU . 25.6 m-20 -91.24 -58.85 2.32 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.365 -0.834 . . . . 0.0 110.667 -179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -44.6 98.82 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.414 0.626 . . . . 0.0 112.209 -178.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -136.61 28.11 3.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.626 -0.671 . . . . 0.0 109.83 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.0 p -160.38 156.35 22.67 Favored Pre-proline 0 N--CA 1.493 1.688 0 O-C-N 121.609 -0.682 . . . . 0.0 110.196 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.17 63.85 4.27 Favored 'Trans proline' 0 C--N 1.316 -1.169 0 O-C-N 123.489 1.257 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.1 t -164.83 -43.94 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.589 -0.694 . . . . 0.0 109.975 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.5 m -61.03 -32.14 71.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.502 -0.748 . . . . 0.0 109.95 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -95.04 18.41 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.645 -0.66 . . . . 0.0 110.504 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -165.67 29.38 0.05 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.324 -0.86 . . . . 0.0 110.494 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.07 14.27 3.55 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 53.84 19.9 2.11 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.11 -1.23 . . . . 0.0 111.36 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.74 -70.25 0.69 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.17 -0.956 . . . . 0.0 110.098 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD11 ' HB3' ' A' ' 20' ' ' ASN . 4.0 tp -53.6 -30.9 44.68 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.49 -0.756 . . . . 0.0 110.144 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -72.15 -56.24 5.92 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 12.8 mmtt -55.21 -34.42 63.91 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.441 -0.787 . . . . 0.0 110.264 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.1 91.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.58 -0.7 . . . . 0.0 109.651 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.595 ' CE ' HD21 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -59.78 -46.99 87.47 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.661 -0.65 . . . . 0.0 109.922 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -53.44 -33.37 53.82 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.418 -0.801 . . . . 0.0 110.62 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -89.47 -24.91 21.72 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.561 -0.712 . . . . 0.0 110.175 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 t -157.65 71.62 0.63 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.512 -0.743 . . . . 0.0 110.341 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.4 p -106.69 -179.33 3.91 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.504 -0.748 . . . . 0.0 110.202 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -84.04 -30.96 25.66 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.509 -0.745 . . . . 0.0 110.12 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.7 p -119.27 178.23 4.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.575 -0.703 . . . . 0.0 110.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.77 95.0 9.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.528 -0.732 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -148.98 -175.35 4.92 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.556 -0.715 . . . . 0.0 110.353 -179.777 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.85 -168.62 1.33 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.593 -0.692 . . . . 0.0 109.987 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HG3' ' A' ' 47' ' ' GLN . 11.6 p-90 -104.03 -34.8 8.32 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.429 -0.794 . . . . 0.0 110.597 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 46' ' ' TRP . 86.9 mt-30 -56.39 -61.88 2.1 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.414 -0.804 . . . . 0.0 110.326 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.2 t -59.79 -29.25 68.08 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.525 -0.734 . . . . 0.0 109.555 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.595 HD21 ' CE ' ' A' ' 36' ' ' MET . 27.4 tp -69.26 -51.2 39.89 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.772 -0.58 . . . . 0.0 109.852 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -64.71 -39.37 93.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.664 -0.647 . . . . 0.0 110.036 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.21 -40.86 96.94 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.635 -0.666 . . . . 0.0 110.535 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 ' HG3' HD11 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -59.99 -40.2 88.35 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.541 -0.724 . . . . 0.0 110.424 -179.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 57' ' ' LEU . 14.7 t80 -59.25 -48.34 81.99 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.286 -0.884 . . . . 0.0 110.373 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.636 HD23 ' HD3' ' A' ' 58' ' ' ARG . 30.1 mt -80.44 -23.75 40.07 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.556 -0.715 . . . . 0.0 110.446 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -57.48 -56.63 19.34 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.445 -0.784 . . . . 0.0 110.591 -179.724 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.6 OUTLIER -162.64 42.11 0.12 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 119.589 -0.844 . . . . 0.0 111.98 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 53' ' ' TYR . 32.6 mt -117.41 -64.13 1.34 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.203 -0.936 . . . . 0.0 109.917 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.636 ' HD3' HD23 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -60.69 166.74 3.09 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.495 -0.753 . . . . 0.0 110.15 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.42 0 CA-C-O 117.964 -1.465 . . . . 0.0 109.663 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -88.0 104.6 16.8 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.59 -0.947 . . . . 0.0 110.259 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 3' ' ' ILE . 8.7 tp -100.84 67.15 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.532 -0.73 . . . . 0.0 110.098 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -167.97 -178.26 3.69 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.542 -0.724 . . . . 0.0 110.033 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -143.05 93.15 2.47 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.575 -0.703 . . . . 0.0 110.356 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.6 p -86.06 -166.51 1.56 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.6 -0.688 . . . . 0.0 110.04 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.684 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.1 m-20 -67.62 -33.64 75.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.49 -0.756 . . . . 0.0 110.233 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.83 62.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.591 -0.693 . . . . 0.0 110.168 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.36 -45.42 66.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.619 -0.676 . . . . 0.0 110.262 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.29 -44.29 97.46 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.556 -0.715 . . . . 0.0 110.237 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 7' ' ' ASP . 82.3 t -61.74 -27.57 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.603 -0.686 . . . . 0.0 110.026 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -77.88 -45.54 23.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.542 -0.724 . . . . 0.0 110.179 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 17' ' ' VAL . 14.2 mt -70.18 -31.44 47.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.568 -0.707 . . . . 0.0 109.851 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 51.2 tp -69.79 -59.56 2.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.604 -0.685 . . . . 0.0 109.717 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.9 m -50.02 -38.87 39.6 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.491 -0.756 . . . . 0.0 110.911 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 13.7 t80 -68.13 -51.84 41.55 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.589 -0.694 . . . . 0.0 109.629 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.72 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 90.7 t -64.43 -51.13 71.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.694 -0.629 . . . . 0.0 110.307 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -26.55 29.88 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.462 -0.774 . . . . 0.0 111.215 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.37 -60.79 2.08 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.485 -0.759 . . . . 0.0 110.603 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.817 ' HB3' HD11 ' A' ' 32' ' ' LEU . 62.4 m-20 -78.3 -61.57 1.96 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.528 -0.733 . . . . 0.0 110.261 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -48.8 95.96 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.599 -0.688 . . . . 0.0 111.702 -179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.76 28.64 0.53 Allowed 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.688 -0.633 . . . . 0.0 109.76 179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.4 p -156.58 159.63 31.24 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.545 -0.722 . . . . 0.0 110.079 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.39 64.43 3.64 Favored 'Trans proline' 0 C--N 1.316 -1.178 0 O-C-N 123.427 1.225 . . . . 0.0 110.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.43 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.544 -0.723 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.754 ' HB2' HD22 ' A' ' 32' ' ' LEU . 12.6 p -65.25 -60.57 2.85 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.624 -0.672 . . . . 0.0 110.57 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.97 -18.14 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.03 0 O-C-N 121.579 -0.701 . . . . 0.0 111.182 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 m -92.37 -37.11 12.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.271 -0.893 . . . . 0.0 110.461 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.2 -150.77 25.68 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -137.79 33.54 2.43 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.956 . . . . 0.0 110.138 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.5 -57.0 2.98 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.583 -0.698 . . . . 0.0 110.652 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.817 HD11 ' HB3' ' A' ' 20' ' ' ASN . 2.8 tp -56.8 -35.4 68.7 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.593 -0.692 . . . . 0.0 110.261 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -74.96 -49.21 20.81 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.592 -0.692 . . . . 0.0 109.539 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -57.85 -36.25 72.05 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.562 -0.711 . . . . 0.0 109.823 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -38.42 89.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.586 -0.696 . . . . 0.0 109.267 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -62.47 -45.45 92.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.713 -0.617 . . . . 0.0 109.479 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -53.35 -32.59 49.9 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.322 -0.861 . . . . 0.0 110.262 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -86.03 -24.69 26.3 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.711 -0.618 . . . . 0.0 110.14 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.92 72.57 0.57 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.523 -0.735 . . . . 0.0 110.179 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.0 p -109.92 176.48 5.05 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.432 -0.793 . . . . 0.0 110.239 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 12' ' ' ALA . 1.7 tp -87.89 -27.4 22.2 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.64 -0.663 . . . . 0.0 110.212 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.534 HG22 ' H ' ' A' ' 43' ' ' GLN . 1.6 m -110.23 179.62 4.04 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.578 -0.701 . . . . 0.0 109.937 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.534 ' H ' HG22 ' A' ' 42' ' ' THR . 22.9 mt-30 -104.9 97.21 7.11 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.542 -0.724 . . . . 0.0 110.199 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HB3' HD21 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -162.78 156.27 20.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.598 -0.689 . . . . 0.0 110.627 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 p -69.15 -167.04 0.1 Allowed 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.451 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 16.5 p-90 -95.34 -33.92 12.35 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.401 -0.812 . . . . 0.0 109.818 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.451 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 3.0 tt0 -67.51 -47.75 69.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.707 -0.62 . . . . 0.0 110.391 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -55.16 -31.0 61.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.394 -0.816 . . . . 0.0 110.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 44' ' ' HIS . 57.6 mt -80.5 -37.1 32.34 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.818 -0.551 . . . . 0.0 109.749 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -43.1 49.96 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.63 -0.669 . . . . 0.0 110.092 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -58.66 -45.53 89.17 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.554 -0.716 . . . . 0.0 110.483 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -62.95 -36.28 82.94 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.572 -0.705 . . . . 0.0 109.836 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.553 ' HA ' HD12 ' A' ' 57' ' ' LEU . 13.3 t80 -58.15 -34.05 69.85 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.612 -0.68 . . . . 0.0 110.082 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.3 mt -90.87 -24.8 20.12 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.671 -0.643 . . . . 0.0 110.166 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -57.62 -45.94 84.75 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.48 -0.762 . . . . 0.0 110.424 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.459 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -171.72 52.76 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.556 -0.715 . . . . 0.0 111.302 179.739 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -139.65 -50.44 0.5 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.481 -0.762 . . . . 0.0 109.893 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 94.86 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.74 -0.6 . . . . 0.0 110.776 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.441 0 CA-C-O 118.053 -1.415 . . . . 0.0 109.677 179.653 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.81 177.09 8.57 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.59 -0.947 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 4' ' ' ALA . 87.7 mt -97.2 167.26 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.654 -0.654 . . . . 0.0 109.844 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.472 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -89.09 -177.01 5.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.681 -0.637 . . . . 0.0 110.393 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.462 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 16.4 m-85 -138.19 121.27 16.77 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.563 -0.71 . . . . 0.0 110.155 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.9 p -79.08 -177.61 5.71 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.714 -0.616 . . . . 0.0 110.113 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -74.45 -30.83 62.04 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.522 -0.736 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.26 -45.56 87.57 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.547 -0.72 . . . . 0.0 110.244 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.435 ' O ' HD12 ' A' ' 13' ' ' ILE . 3.5 m-20 -62.58 -38.43 90.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.55 -0.719 . . . . 0.0 110.395 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -60.08 -36.52 77.57 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.522 -0.736 . . . . 0.0 110.411 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.9 t -76.23 -40.62 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 121.531 -0.731 . . . . 0.0 109.969 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.24 83.6 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.537 -0.727 . . . . 0.0 109.943 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 49' ' ' LEU . 41.8 mt -63.01 -46.34 96.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.695 -0.628 . . . . 0.0 109.839 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.05 -60.67 3.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.434 -0.791 . . . . 0.0 110.052 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.0 m -51.55 -48.79 62.95 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.382 -0.824 . . . . 0.0 111.03 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 41.9 t80 -60.36 -49.8 76.16 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.481 -0.762 . . . . 0.0 110.294 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.6 t -62.93 -37.82 80.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.602 -0.686 . . . . 0.0 109.933 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -65.36 -20.91 66.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.687 -0.633 . . . . 0.0 110.679 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.67 -49.23 6.59 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.331 -0.856 . . . . 0.0 110.956 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.934 ' HB3' HD11 ' A' ' 32' ' ' LEU . 15.4 m-20 -88.93 -60.72 1.88 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.355 -0.841 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.76 97.71 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.491 -0.756 . . . . 0.0 111.365 -179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -151.95 25.0 0.65 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.554 -0.716 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -167.58 167.92 6.75 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.471 -0.768 . . . . 0.0 109.979 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -76.21 67.18 6.96 Favored 'Trans proline' 0 C--N 1.316 -1.143 0 O-C-N 123.385 1.203 . . . . 0.0 110.342 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.4 t -168.78 -39.42 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.432 -0.792 . . . . 0.0 110.574 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.775 ' CB ' HD13 ' A' ' 32' ' ' LEU . 12.8 p -54.78 -63.04 1.28 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.348 -0.845 . . . . 0.0 110.818 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 m -92.44 20.57 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.57 -0.706 . . . . 0.0 110.573 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.5 m -111.35 -34.24 6.18 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.317 -0.865 . . . . 0.0 109.823 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -101.9 19.76 48.33 Favored Glycine 0 N--CA 1.494 2.533 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 50.82 25.79 2.31 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.193 -1.181 . . . . 0.0 111.273 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.63 -39.34 13.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.447 -0.783 . . . . 0.0 110.62 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.934 HD11 ' HB3' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -69.17 -32.83 72.41 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.58 -0.7 . . . . 0.0 109.895 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.455 ' CD1' ' CG ' ' A' ' 50' ' ' LYS . 58.0 m95 -73.77 -56.4 5.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.551 -0.718 . . . . 0.0 110.166 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HD2' ' CD2' ' A' ' 46' ' ' TRP . 0.1 OUTLIER -51.76 -39.31 58.34 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.073 -1.017 . . . . 0.0 110.537 178.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.29 -48.8 70.86 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.768 -0.582 . . . . 0.0 110.083 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -53.17 -41.56 65.32 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.473 -0.767 . . . . 0.0 110.568 179.559 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.56 -43.99 95.43 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.725 -0.609 . . . . 0.0 110.331 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -97.03 21.3 9.95 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.514 -0.741 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.8 t -127.35 -74.52 0.59 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.302 -0.874 . . . . 0.0 110.676 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.4 t -154.39 89.14 1.25 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.393 -0.817 . . . . 0.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -152.69 144.98 23.95 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.481 -0.762 . . . . 0.0 110.126 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.04 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.557 -0.715 . . . . 0.0 110.59 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 88.47 0.11 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.737 -0.602 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.4 m-70 -155.53 163.27 40.22 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.596 -0.69 . . . . 0.0 110.804 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 p -105.82 176.21 5.24 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.689 -0.632 . . . . 0.0 109.769 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 16.4 p-90 -81.3 -34.15 32.12 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.581 -0.7 . . . . 0.0 110.097 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -52.46 -64.54 0.78 Allowed 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.546 -0.721 . . . . 0.0 110.351 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -58.97 -22.88 61.08 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.531 -0.731 . . . . 0.0 109.838 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.77 HD11 HG12 ' A' ' 13' ' ' ILE . 15.5 tp -74.85 -48.29 25.8 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.553 -0.717 . . . . 0.0 110.148 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.455 ' CG ' ' CD1' ' A' ' 33' ' ' TRP . 0.0 OUTLIER -70.24 -39.78 74.86 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.65 -0.656 . . . . 0.0 110.211 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.13 -44.34 97.48 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.688 -0.633 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -59.54 -45.02 93.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.581 -0.7 . . . . 0.0 111.138 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' HD12 ' A' ' 57' ' ' LEU . 19.4 t80 -55.26 -40.5 71.04 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.336 -0.852 . . . . 0.0 110.825 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.4 mt -84.63 -23.85 29.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.651 -0.655 . . . . 0.0 110.234 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 12.9 mttt -59.37 -47.31 85.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.421 -0.799 . . . . 0.0 110.654 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.453 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -169.06 42.3 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.284 -0.885 . . . . 0.0 112.353 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.6 HD12 ' HA ' ' A' ' 53' ' ' TYR . 54.3 mt -124.23 -54.87 1.68 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.22 -0.925 . . . . 0.0 110.486 178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -53.92 -38.56 65.01 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.391 -0.818 . . . . 0.0 110.811 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.521 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.53 -179.913 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.3 121.32 8.25 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.569 -0.959 . . . . 0.0 110.472 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.487 HG23 ' NE2' ' A' ' 44' ' ' HIS . 18.5 tt -69.73 168.91 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.481 -0.762 . . . . 0.0 110.332 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.34 -160.13 0.2 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.476 -0.765 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 95.7 m-85 -136.2 129.94 32.41 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.591 -0.693 . . . . 0.0 110.353 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -92.56 -167.7 1.81 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.101 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.28 -41.7 66.38 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.514 -0.741 . . . . 0.0 110.208 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -32.37 71.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.614 -0.678 . . . . 0.0 110.513 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.25 -28.64 63.27 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.579 -0.7 . . . . 0.0 110.226 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -71.7 -48.82 44.71 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.466 -0.771 . . . . 0.0 110.177 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.67 -29.81 46.49 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.499 -0.75 . . . . 0.0 109.773 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.58 -41.26 63.13 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.516 -0.74 . . . . 0.0 110.239 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.619 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.2 mt -78.31 -32.41 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.672 -0.643 . . . . 0.0 109.578 179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.3 tp -68.29 -52.52 32.82 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.648 -0.658 . . . . 0.0 109.42 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.6 m -53.56 -51.07 64.11 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.659 -0.65 . . . . 0.0 110.693 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -58.44 -49.49 77.12 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 110.394 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 13' ' ' ILE . 96.8 t -64.22 -40.41 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.647 -0.658 . . . . 0.0 110.715 -179.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -81.85 -4.09 55.65 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.391 -0.818 . . . . 0.0 111.913 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -101.57 -34.81 9.37 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.03 -1.044 . . . . 0.0 111.02 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.733 ' HB2' HD21 ' A' ' 32' ' ' LEU . 51.9 m-20 -93.97 -48.81 6.08 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.323 -0.861 . . . . 0.0 110.554 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -50.68 -73.72 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.359 -0.838 . . . . 0.0 111.247 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 52.44 24.69 3.1 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.245 -0.909 . . . . 0.0 110.78 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.1 p -169.14 159.67 7.72 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.421 -0.799 . . . . 0.0 110.475 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -80.99 58.3 6.95 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 O-C-N 123.444 1.234 . . . . 0.0 110.079 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 26.7 t -147.89 -45.36 0.16 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.397 -0.814 . . . . 0.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -70.06 -54.96 10.81 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.502 -0.749 . . . . 0.0 109.946 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.9 m -61.98 -21.8 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.644 -0.66 . . . . 0.0 110.627 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.7 m -95.9 -41.3 8.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.464 -0.773 . . . . 0.0 110.463 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.66 2.28 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -137.51 28.94 2.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.657 -0.908 . . . . 0.0 109.977 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.4 -58.86 2.35 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 110.356 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -57.98 -25.75 61.44 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.658 -0.651 . . . . 0.0 110.475 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -82.37 -53.82 5.71 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.558 -0.713 . . . . 0.0 110.397 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -56.77 -39.41 74.0 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.411 -0.805 . . . . 0.0 110.256 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.56 84.36 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.528 -0.732 . . . . 0.0 109.506 179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.0 ttm -61.59 -39.72 92.21 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.641 -0.662 . . . . 0.0 109.952 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.74 -37.24 59.01 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.315 -0.866 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.53 -35.65 68.1 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.607 -0.683 . . . . 0.0 110.157 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 37.9 t -145.04 66.78 1.24 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.516 -0.74 . . . . 0.0 110.535 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 t -92.7 166.44 12.46 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.465 -0.772 . . . . 0.0 110.389 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -76.01 -39.2 56.25 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.648 -0.657 . . . . 0.0 109.507 179.549 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 41.2 p -101.18 -163.68 1.04 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.712 -0.617 . . . . 0.0 109.599 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -116.83 93.9 4.38 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.392 -0.817 . . . . 0.0 110.352 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' HB3' HD21 ' A' ' 49' ' ' LEU . 2.4 m-70 -153.42 160.64 42.65 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.535 -0.728 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.24 -168.61 1.36 Allowed 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.494 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.463 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 7.4 p-90 -95.71 -37.37 10.82 Favored 'General case' 0 N--CA 1.49 1.564 0 C-N-CA 119.943 -0.703 . . . . 0.0 110.034 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.463 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 16.9 tt0 -72.11 -42.7 65.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.747 -0.596 . . . . 0.0 110.112 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -55.69 -28.09 53.73 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.483 -0.761 . . . . 0.0 110.105 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' ' 44' ' ' HIS . 50.8 mt -86.41 -42.74 13.39 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.593 -0.692 . . . . 0.0 109.366 179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -29.51 70.46 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.669 -0.644 . . . . 0.0 109.904 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -75.82 -54.4 6.97 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.569 -0.707 . . . . 0.0 110.901 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.623 ' NE ' HD11 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -61.58 -39.79 92.46 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.434 -0.791 . . . . 0.0 110.867 -179.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.52 ' HA ' HD12 ' A' ' 57' ' ' LEU . 20.1 t80 -60.52 -50.26 74.24 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.341 -0.849 . . . . 0.0 110.171 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.26 -22.71 51.71 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.514 -0.741 . . . . 0.0 110.046 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.62 -52.04 67.23 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.481 -0.762 . . . . 0.0 110.507 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.473 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -163.76 47.08 0.12 Allowed 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 119.587 -0.845 . . . . 0.0 112.189 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.623 HD11 ' NE ' ' A' ' 52' ' ' ARG . 87.5 mt -133.09 -54.1 0.91 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.405 -0.809 . . . . 0.0 109.57 178.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.1 mtt180 50.89 -176.58 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.482 -0.761 . . . . 0.0 111.134 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.422 0 CA-C-O 117.934 -1.481 . . . . 0.0 109.499 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.3 mtt180 -101.95 -174.62 2.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.451 -1.029 . . . . 0.0 110.328 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 4' ' ' ALA . 92.4 mt -85.8 167.75 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.486 ' N ' HG22 ' A' ' 3' ' ' ILE . . . -94.02 -166.7 1.54 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.746 -0.596 . . . . 0.0 110.104 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 73.5 m-85 -139.83 99.23 3.64 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.524 -0.735 . . . . 0.0 110.38 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -66.9 -162.91 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.613 -0.679 . . . . 0.0 110.151 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -81.41 -37.21 28.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.546 -0.721 . . . . 0.0 110.171 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.39 -29.16 70.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.635 -0.666 . . . . 0.0 110.019 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.01 -42.73 37.45 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.574 -0.704 . . . . 0.0 110.192 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.39 -39.45 83.43 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.636 -0.665 . . . . 0.0 110.146 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -70.79 -34.45 56.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.698 -0.626 . . . . 0.0 109.727 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.02 -46.93 55.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.624 -0.672 . . . . 0.0 109.812 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 17' ' ' VAL . 98.5 mt -62.87 -27.36 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.663 -0.648 . . . . 0.0 109.895 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 tp -82.57 -61.81 1.78 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.431 -0.793 . . . . 0.0 110.03 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.6 m -49.31 -34.44 15.63 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.427 -0.796 . . . . 0.0 111.464 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 55.2 t80 -78.1 -45.0 24.58 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.386 -0.822 . . . . 0.0 110.364 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG21 ' CH2' ' A' ' 33' ' ' TRP . 73.4 t -72.02 -44.24 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.556 -0.715 . . . . 0.0 110.342 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -64.46 -29.51 70.56 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.406 -0.809 . . . . 0.0 110.577 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -82.03 -27.02 33.29 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.503 -0.748 . . . . 0.0 110.597 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.853 ' CB ' HD21 ' A' ' 32' ' ' LEU . 74.8 m-20 -102.61 -61.84 1.35 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.443 -0.785 . . . . 0.0 110.632 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -47.88 101.15 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.47 -0.769 . . . . 0.0 111.445 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -138.31 -43.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.524 -0.735 . . . . 0.0 110.451 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.5 p -97.21 161.61 25.56 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.53 -0.731 . . . . 0.0 110.225 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -72.18 67.69 3.38 Favored 'Trans proline' 0 C--N 1.317 -1.079 0 O-C-N 123.378 1.199 . . . . 0.0 109.878 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 93.5 p -167.59 -39.64 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.639 -0.663 . . . . 0.0 110.537 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 32' ' ' LEU . 44.7 m -55.87 -64.08 0.97 Allowed 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.381 -0.825 . . . . 0.0 110.475 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.415 ' H ' HG22 ' A' ' 27' ' ' VAL . 33.6 m -100.8 25.89 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.522 -0.736 . . . . 0.0 110.606 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.5 m -104.38 -29.77 10.52 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.528 -0.732 . . . . 0.0 109.939 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.34 28.2 7.3 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.727 -1.349 . . . . 0.0 109.727 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 53.66 32.41 14.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.416 -1.05 . . . . 0.0 111.07 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.19 -50.7 5.69 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.274 -0.891 . . . . 0.0 110.9 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.853 HD21 ' CB ' ' A' ' 20' ' ' ASN . 2.3 tp -56.49 -29.65 62.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.341 -0.849 . . . . 0.0 110.045 -179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.479 ' CH2' HG21 ' A' ' 17' ' ' VAL . 43.0 m95 -80.92 -44.69 17.89 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -60.96 -38.05 84.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.622 -0.674 . . . . 0.0 109.364 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.55 -44.14 93.33 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.681 -0.637 . . . . 0.0 109.412 179.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 1.6 ttm -60.61 -39.53 88.53 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.667 -0.645 . . . . 0.0 109.695 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -53.84 -35.92 62.0 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.436 -0.79 . . . . 0.0 110.385 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -73.7 -28.9 61.97 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 110.026 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.1 t -161.64 73.94 0.44 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.575 -0.703 . . . . 0.0 110.6 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.3 p -99.99 -175.19 2.88 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.486 -0.759 . . . . 0.0 110.471 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 tp -96.92 -39.08 9.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.697 -0.627 . . . . 0.0 109.852 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 p -100.11 -176.37 3.21 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.644 -0.66 . . . . 0.0 109.951 179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 29.3 mt-30 -107.08 101.17 10.6 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.481 -0.762 . . . . 0.0 110.322 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.5 m-70 -162.66 157.47 21.89 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.673 -0.642 . . . . 0.0 110.647 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.18 148.61 25.1 Favored 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 120.188 -0.605 . . . . 0.0 109.418 179.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.457 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 11.7 p-90 -51.07 -35.84 36.95 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.549 -0.719 . . . . 0.0 111.09 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.457 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.2 tt0 -62.44 -56.02 22.16 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.705 -0.622 . . . . 0.0 110.351 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.1 t -54.5 -24.29 19.92 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.534 -0.729 . . . . 0.0 110.599 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.82 -37.25 24.71 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.483 -0.761 . . . . 0.0 109.838 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -81.29 -32.59 33.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.616 -0.678 . . . . 0.0 110.015 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.78 -44.3 77.74 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.607 -0.683 . . . . 0.0 110.035 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -68.1 -38.11 81.94 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.556 -0.715 . . . . 0.0 109.787 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.617 ' HA ' HD12 ' A' ' 57' ' ' LEU . 7.1 t80 -59.41 -32.86 70.57 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.575 -0.703 . . . . 0.0 109.771 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.7 mt -91.26 -25.44 19.48 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 6.5 mtpt -58.51 -47.55 83.76 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.484 -0.76 . . . . 0.0 110.66 -179.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.426 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -167.79 49.18 0.05 Allowed 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.739 -0.784 . . . . 0.0 111.779 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 53' ' ' TYR . 94.5 mt -133.62 -53.93 0.88 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.424 -0.798 . . . . 0.0 110.176 178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -115.35 92.94 4.08 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.594 -0.691 . . . . 0.0 110.317 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.666 ' O ' HG22 ' A' ' 3' ' ' ILE . 1.1 mmp_? -115.07 75.31 0.93 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.651 -0.911 . . . . 0.0 110.311 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 2' ' ' ARG . 2.1 tt 46.73 -175.3 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.316 0 O-C-N 122.041 -0.412 . . . . 0.0 111.367 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -129.23 156.67 43.59 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.12 -0.987 . . . . 0.0 110.495 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -116.34 146.49 42.4 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.537 -0.727 . . . . 0.0 110.252 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -97.44 169.91 9.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.629 -0.669 . . . . 0.0 110.14 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.93 -33.0 74.41 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.637 -0.664 . . . . 0.0 110.227 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.48 -33.2 58.69 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.614 -0.679 . . . . 0.0 110.197 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.38 -37.18 66.09 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.568 -0.707 . . . . 0.0 110.341 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -63.83 -45.29 90.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.45 -0.781 . . . . 0.0 110.252 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.2 t -71.68 -38.77 67.81 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 109.899 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.02 94.89 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.551 -0.718 . . . . 0.0 109.827 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.628 HG23 ' HE3' ' A' ' 36' ' ' MET . 87.1 mt -66.43 -39.29 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.65 -0.656 . . . . 0.0 109.558 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -62.98 -57.2 11.51 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.522 -0.736 . . . . 0.0 109.695 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -53.4 -45.0 69.16 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.405 -0.809 . . . . 0.0 110.68 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -60.94 -54.82 40.3 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.464 -0.772 . . . . 0.0 109.519 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.654 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 86.5 t -59.46 -49.76 82.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.613 -0.68 . . . . 0.0 109.545 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -58.15 -22.93 53.33 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.437 -0.789 . . . . 0.0 110.435 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.63 -50.88 7.77 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.388 -0.82 . . . . 0.0 110.399 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.815 ' HB2' HD21 ' A' ' 32' ' ' LEU . 17.6 m-20 -88.42 -57.3 2.97 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.439 -0.788 . . . . 0.0 110.358 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . -49.73 107.76 0.17 Allowed 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.591 -0.693 . . . . 0.0 111.317 -179.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmt-85 -145.96 -46.61 0.2 Allowed 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 p -78.27 160.9 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 121.693 -0.629 . . . . 0.0 109.909 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -74.61 70.55 4.95 Favored 'Trans proline' 0 C--N 1.315 -1.189 0 O-C-N 123.436 1.229 . . . . 0.0 110.171 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 99.5 p -168.92 -46.9 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.381 -0.825 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.794 ' HB3' HD13 ' A' ' 32' ' ' LEU . 30.2 m -56.73 -31.19 64.29 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.435 -0.791 . . . . 0.0 110.769 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.57 16.87 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.528 -0.733 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 m -152.79 23.3 0.59 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.247 -0.908 . . . . 0.0 110.561 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.02 9.19 4.48 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 110.289 -1.125 . . . . 0.0 110.289 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 53.35 20.24 1.88 Allowed 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.043 -1.269 . . . . 0.0 111.516 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -60.64 1.8 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.213 -0.929 . . . . 0.0 110.616 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.11 -29.07 43.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.427 -0.796 . . . . 0.0 110.204 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.694 ' HE3' HD12 ' A' ' 49' ' ' LEU . 33.6 m95 -79.5 -46.83 16.66 Favored 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -59.07 -47.04 86.7 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.842 -0.536 . . . . 0.0 110.032 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.61 73.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.589 -0.694 . . . . 0.0 110.264 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.752 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.4 ttp -64.7 -55.72 18.22 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.44 -0.788 . . . . 0.0 109.876 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -57.89 -25.23 60.53 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.59 -0.694 . . . . 0.0 110.569 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -96.37 -20.2 18.65 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.468 -0.77 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.8 m -90.52 -74.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.38 -0.825 . . . . 0.0 110.55 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -146.23 97.67 2.97 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.553 -0.717 . . . . 0.0 110.676 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.752 HD22 ' HG2' ' A' ' 36' ' ' MET . 9.8 tp -156.64 162.48 39.84 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.573 -0.704 . . . . 0.0 109.613 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 p -77.56 -170.36 1.78 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.323 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.21 84.67 0.55 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.66 -0.65 . . . . 0.0 110.103 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.456 ' HE1' HG23 ' A' ' 3' ' ' ILE . 2.3 m-70 -146.8 167.42 23.94 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.574 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -103.22 138.16 40.4 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.728 -0.608 . . . . 0.0 110.003 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 22.0 p-90 -49.22 -31.34 8.45 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.568 -0.707 . . . . 0.0 110.744 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -75.21 -37.85 60.95 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.814 -0.554 . . . . 0.0 110.73 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -57.19 -43.35 82.62 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.37 -0.831 . . . . 0.0 110.35 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD12 ' HE3' ' A' ' 33' ' ' TRP . 0.3 OUTLIER -84.52 -19.79 32.67 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.463 179.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -76.02 -39.96 54.55 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.291 -0.881 . . . . 0.0 109.424 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -70.76 -46.49 62.85 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.697 -0.627 . . . . 0.0 110.446 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.368 -0.833 . . . . 0.0 110.248 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.785 ' HA ' HD12 ' A' ' 57' ' ' LEU . 27.3 t80 -60.53 -70.04 0.19 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.564 -0.71 . . . . 0.0 109.766 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.515 ' C ' HD12 ' A' ' 54' ' ' LEU . 4.3 pp -59.97 -16.9 34.03 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.721 -0.612 . . . . 0.0 111.151 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' N ' HD12 ' A' ' 54' ' ' LEU . 10.8 mmtt -70.74 -44.51 66.66 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.108 -0.995 . . . . 0.0 111.053 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -158.38 35.34 0.24 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.336 -0.853 . . . . 0.0 111.329 -179.189 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 53' ' ' TYR . 84.1 mt -135.56 -50.25 0.73 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.448 -0.782 . . . . 0.0 109.629 178.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.3 109.96 1.12 Allowed 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.733 -0.605 . . . . 0.0 110.169 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.435 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.574 -179.92 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 30.6 mtm-85 -99.3 147.8 24.82 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.623 -0.927 . . . . 0.0 110.092 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.652 HG23 ' CE1' ' A' ' 44' ' ' HIS . 14.5 tt -69.96 150.47 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.579 -0.7 . . . . 0.0 110.057 179.821 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.57 -179.22 3.95 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.641 -0.662 . . . . 0.0 110.474 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CE1' ' CE1' ' A' ' 44' ' ' HIS . 9.8 m-85 -126.91 175.04 8.36 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.623 -0.673 . . . . 0.0 110.199 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 m -133.46 174.39 10.46 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.475 -0.766 . . . . 0.0 109.933 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.85 -39.58 90.89 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.519 -0.738 . . . . 0.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.53 -41.32 84.52 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.554 -0.716 . . . . 0.0 110.391 -179.766 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.517 ' O ' HD12 ' A' ' 13' ' ' ILE . 0.7 OUTLIER -62.85 -42.65 99.83 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.589 -0.694 . . . . 0.0 110.336 -179.854 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.05 -54.12 50.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.585 -0.697 . . . . 0.0 110.679 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.91 -28.19 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.477 -0.764 . . . . 0.0 110.142 -179.744 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.83 16.41 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.619 -0.676 . . . . 0.0 110.264 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.573 HG12 HD22 ' A' ' 49' ' ' LEU . 12.6 mt -63.8 -33.97 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.54 -0.725 . . . . 0.0 109.944 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -71.44 -59.44 2.76 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.491 -0.756 . . . . 0.0 109.766 179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.5 m -56.44 -38.46 71.65 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.504 -0.748 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' CE1' ' HB2' ' A' ' 36' ' ' MET . 31.2 t80 -66.95 -52.82 38.33 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.559 -0.713 . . . . 0.0 109.739 179.57 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.705 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 73.4 t -63.97 -38.82 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.679 -0.638 . . . . 0.0 110.115 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -72.19 -13.28 61.5 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.546 -0.721 . . . . 0.0 111.214 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -94.0 -40.01 10.33 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.192 -0.942 . . . . 0.0 110.671 -179.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.807 ' HB2' HD21 ' A' ' 32' ' ' LEU . 18.1 m-20 -98.77 -59.08 1.8 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.53 -0.732 . . . . 0.0 110.243 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.724 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -53.76 107.59 0.27 Allowed 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.617 -0.677 . . . . 0.0 111.037 -179.324 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.4 mtp-105 -153.64 27.82 0.49 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.713 -0.617 . . . . 0.0 109.94 179.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.6 p -155.21 165.7 17.73 Favored Pre-proline 0 N--CA 1.493 1.699 0 O-C-N 121.612 -0.68 . . . . 0.0 109.873 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -73.56 63.55 4.63 Favored 'Trans proline' 0 C--N 1.315 -1.233 0 O-C-N 123.404 1.212 . . . . 0.0 110.432 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.2 m -161.74 -51.12 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.455 -0.778 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.636 ' HB2' HD13 ' A' ' 32' ' ' LEU . 6.5 p -61.56 -63.92 1.11 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.454 -0.779 . . . . 0.0 110.246 -179.855 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.724 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.2 m -70.41 -16.59 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.568 -0.707 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -91.49 -27.38 18.28 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.208 -0.933 . . . . 0.0 110.455 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.72 -148.3 19.12 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -137.69 32.69 2.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.619 -0.93 . . . . 0.0 109.881 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.59 -60.93 1.79 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.651 -0.656 . . . . 0.0 110.551 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -54.23 -25.22 21.96 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.529 -0.732 . . . . 0.0 110.84 -179.773 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' HG21 ' A' ' 17' ' ' VAL . 55.9 m95 -85.14 -50.54 7.33 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.594 -0.691 . . . . 0.0 109.601 -179.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -59.32 -38.49 80.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.568 -0.707 . . . . 0.0 110.119 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.81 -44.47 69.95 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.599 -0.688 . . . . 0.0 109.848 179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.402 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 7.2 ttm -53.94 -41.24 67.54 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.544 -0.723 . . . . 0.0 110.37 179.667 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -61.61 -46.02 91.6 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.768 -0.582 . . . . 0.0 109.872 179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 21.1 8.24 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.553 -0.717 . . . . 0.0 110.336 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -114.08 -76.36 0.58 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.358 -0.838 . . . . 0.0 110.245 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.91 104.14 0.09 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.417 -0.802 . . . . 0.0 110.49 -179.792 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -147.79 -80.71 0.14 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.588 -0.695 . . . . 0.0 109.987 179.394 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.554 HG22 ' HG2' ' A' ' 43' ' ' GLN . 59.2 m -162.98 -77.96 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 109.519 179.401 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.554 ' HG2' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER -176.21 86.26 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.411 -0.806 . . . . 0.0 109.896 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.652 ' CE1' HG23 ' A' ' 3' ' ' ILE . 1.2 m-70 -159.66 161.23 34.9 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.412 -0.805 . . . . 0.0 110.925 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.81 140.64 29.23 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.23 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.569 ' HA ' HD12 ' A' ' 49' ' ' LEU . 9.6 p-90 -49.3 -38.81 28.83 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.623 -0.673 . . . . 0.0 111.466 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 0.7 OUTLIER -61.39 -51.27 69.48 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.629 -0.669 . . . . 0.0 110.266 -179.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.7 -25.46 62.89 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.551 -0.718 . . . . 0.0 110.2 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.573 HD22 HG12 ' A' ' 13' ' ' ILE . 80.9 mt -79.6 -43.06 23.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.544 -0.722 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -62.7 -50.04 72.71 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.597 -0.689 . . . . 0.0 109.68 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -60.87 -36.47 79.27 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.574 -0.704 . . . . 0.0 109.718 179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -64.46 -37.49 87.73 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.71 -0.619 . . . . 0.0 109.587 179.527 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 14.9 t80 -59.82 -36.83 77.6 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.493 -0.755 . . . . 0.0 110.016 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.2 mt -88.56 -22.04 23.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.24 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -59.0 -47.94 83.37 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.406 -0.809 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -169.33 44.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.449 -0.782 . . . . 0.0 111.729 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 74.4 mt -129.09 -65.77 0.85 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.559 -0.713 . . . . 0.0 109.377 178.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 51.54 -172.97 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.485 -0.759 . . . . 0.0 110.94 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 -179.976 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.614 -1.394 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.8 126.38 6.81 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.448 -1.03 . . . . 0.0 110.531 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 3' ' ' ILE . 0.2 OUTLIER -133.83 61.01 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.701 -0.624 . . . . 0.0 109.659 179.498 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.41 -179.09 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.43 -0.794 . . . . 0.0 110.617 -179.751 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.24 119.65 37.77 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.574 -0.703 . . . . 0.0 110.232 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 7' ' ' ASP . 7.3 m -89.56 171.88 9.37 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.602 -0.686 . . . . 0.0 110.436 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.405 ' H ' HG22 ' A' ' 6' ' ' THR . 2.4 m-20 -61.11 -42.95 99.47 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.574 -0.703 . . . . 0.0 110.461 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.53 61.94 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.431 -0.793 . . . . 0.0 110.557 -179.867 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.55 ' HA ' HG21 ' A' ' 42' ' ' THR . 0.6 OUTLIER -79.07 -41.0 29.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.505 -0.747 . . . . 0.0 110.199 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -61.25 -34.46 75.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.567 -0.708 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.7 t -79.65 -36.95 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.449 -0.782 . . . . 0.0 110.094 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.97 -46.39 52.62 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.586 -0.696 . . . . 0.0 110.011 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.592 ' CG2' HD11 ' A' ' 49' ' ' LEU . 59.8 mt -64.37 -48.23 86.16 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.588 -0.695 . . . . 0.0 109.654 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.0 tp -59.22 -58.43 8.65 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.439 -0.788 . . . . 0.0 110.311 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 59.1 m -57.44 -43.52 83.94 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.479 -0.763 . . . . 0.0 110.692 -179.613 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' CZ ' ' HB3' ' A' ' 36' ' ' MET . 49.8 t80 -67.22 -47.36 71.07 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.551 -0.718 . . . . 0.0 110.274 -179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 84.3 t -68.47 -32.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.68 -0.638 . . . . 0.0 110.294 -179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.02 -25.53 60.99 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.427 -0.796 . . . . 0.0 110.496 179.9 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -77.71 -41.85 36.45 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.466 -0.771 . . . . 0.0 110.942 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.762 ' CB ' HD11 ' A' ' 32' ' ' LEU . 23.1 m-20 -109.67 -53.5 2.66 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.302 -0.873 . . . . 0.0 110.451 -179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.053 ' HB1' HG12 ' A' ' 27' ' ' VAL . . . -64.1 81.03 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.751 -0.593 . . . . 0.0 111.106 -178.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -122.75 -34.63 3.18 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.707 -0.621 . . . . 0.0 109.941 179.185 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 p -93.24 164.98 19.43 Favored Pre-proline 0 N--CA 1.493 1.685 0 O-C-N 121.466 -0.771 . . . . 0.0 109.891 179.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -74.89 64.12 5.93 Favored 'Trans proline' 0 C--N 1.316 -1.155 0 O-C-N 123.373 1.196 . . . . 0.0 110.206 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.7 p -153.29 -61.64 0.14 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.458 -0.776 . . . . 0.0 110.489 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.461 ' HB2' HD13 ' A' ' 32' ' ' LEU . 3.2 p -70.38 -10.63 59.58 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.555 -0.716 . . . . 0.0 111.064 -179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 1.053 HG12 ' HB1' ' A' ' 21' ' ' ALA . 34.4 m -99.33 -20.73 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.215 -0.928 . . . . 0.0 110.972 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -127.74 28.69 5.58 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.346 -0.846 . . . . 0.0 110.745 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.39 8.89 6.98 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 54.36 20.16 2.59 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.041 -1.27 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.58 -66.78 0.9 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.224 -0.922 . . . . 0.0 110.145 179.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.762 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.4 OUTLIER -55.65 -24.46 33.87 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.503 -0.748 . . . . 0.0 110.397 179.697 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -78.28 -57.33 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.657 -0.652 . . . . 0.0 109.359 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' CD1' ' A' ' 46' ' ' TRP . 14.3 mmtt -53.31 -38.74 63.43 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.269 -0.894 . . . . 0.0 110.42 179.325 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.48 -61.1 2.84 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.65 -0.656 . . . . 0.0 110.803 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 16' ' ' TYR . 1.5 ptp -59.64 -24.44 63.86 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.315 -0.865 . . . . 0.0 110.174 -179.74 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 36' ' ' MET . 9.7 tm-20 -58.77 -37.27 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.13 -0.981 . . . . 0.0 109.239 178.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -71.92 -37.21 70.08 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 120.281 -0.568 . . . . 0.0 109.472 178.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -151.29 76.66 1.23 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.583 -0.698 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 179.1 4.47 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.387 -0.821 . . . . 0.0 109.92 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.36 -31.03 57.82 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.683 -0.635 . . . . 0.0 109.95 179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.55 HG21 ' HA ' ' A' ' 9' ' ' ASP . 76.3 p -108.82 -173.7 2.33 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.657 -0.652 . . . . 0.0 109.842 179.695 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.53 96.12 5.71 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.578 -0.701 . . . . 0.0 109.717 179.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -158.07 -177.07 6.29 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.543 -0.723 . . . . 0.0 110.688 -179.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -100.11 -171.57 2.06 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.701 -0.624 . . . . 0.0 110.385 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.427 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 19.5 p-90 -106.01 -39.17 6.07 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.649 -0.657 . . . . 0.0 109.968 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.427 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 4.8 tt0 -55.42 -61.27 2.45 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.539 -0.726 . . . . 0.0 110.25 179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -55.6 -26.24 42.93 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.436 -0.79 . . . . 0.0 109.807 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 HD11 ' CG2' ' A' ' 13' ' ' ILE . 39.3 tp -81.87 -27.68 33.37 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.726 -0.609 . . . . 0.0 109.849 179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.42 -52.21 11.27 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.443 -0.786 . . . . 0.0 109.864 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.54 -38.92 78.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.59 -0.694 . . . . 0.0 110.35 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.405 ' CD ' ' NE2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -65.31 -36.19 83.29 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.57 -0.706 . . . . 0.0 109.895 179.844 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' HA ' HD12 ' A' ' 57' ' ' LEU . 42.3 t80 -61.02 -31.95 71.57 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.348 -0.845 . . . . 0.0 109.749 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.8 mt -90.11 -24.32 21.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.619 -0.676 . . . . 0.0 110.298 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 10.0 mttt -58.48 -44.23 89.27 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.354 -0.842 . . . . 0.0 110.579 -179.751 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.446 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.3 OUTLIER -172.29 50.98 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.425 -0.797 . . . . 0.0 111.563 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 53' ' ' TYR . 96.5 mt -138.44 -46.96 0.51 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.447 -0.783 . . . . 0.0 109.768 178.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -56.26 -27.33 54.82 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.591 -0.693 . . . . 0.0 110.597 179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.421 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.947 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.44 168.59 19.42 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.644 -0.915 . . . . 0.0 110.284 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.624 ' O ' HG22 ' A' ' 3' ' ' ILE . 5.2 mp -129.08 37.33 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.56 -0.713 . . . . 0.0 109.696 179.864 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.23 179.36 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.465 -0.772 . . . . 0.0 110.999 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.479 ' CZ ' ' CE1' ' A' ' 44' ' ' HIS . 23.6 m-85 -140.69 109.37 5.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.698 -0.626 . . . . 0.0 110.091 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 9' ' ' ASP . 9.1 t -73.27 -162.04 0.11 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.535 -0.728 . . . . 0.0 110.29 -179.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.2 m-20 -86.67 -36.48 18.71 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.588 -0.695 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.57 -34.29 75.33 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.562 -0.711 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.539 ' CG ' HG21 ' A' ' 42' ' ' THR . 1.4 m-20 -74.54 -49.04 23.49 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.064 179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.59 -28.78 48.73 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.384 -0.822 . . . . 0.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 7' ' ' ASP . 61.9 t -78.05 -41.89 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.631 -0.668 . . . . 0.0 109.465 179.58 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.78 -43.77 68.04 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.647 -0.658 . . . . 0.0 110.047 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.609 ' O ' HG23 ' A' ' 17' ' ' VAL . 48.6 mm -66.87 -43.57 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.628 -0.67 . . . . 0.0 109.523 179.661 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.18 -59.62 4.52 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.527 -0.733 . . . . 0.0 109.929 179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 HG22 ' OE2' ' A' ' 19' ' ' GLU . 84.1 m -53.14 -49.47 66.5 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.541 -0.724 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' A' ' 36' ' ' MET . 29.1 t80 -56.42 -52.27 65.27 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.416 -0.802 . . . . 0.0 110.086 179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 13' ' ' ILE . 80.4 t -59.48 -54.04 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.309 -179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -64.47 -12.12 40.55 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.53 -0.731 . . . . 0.0 111.429 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' OE2' HG22 ' A' ' 15' ' ' THR . 7.5 mt-10 -93.92 -31.15 14.42 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.126 -0.984 . . . . 0.0 111.071 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.786 ' CB ' HD11 ' A' ' 32' ' ' LEU . 38.4 m-20 -102.79 -46.86 4.58 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.285 -0.884 . . . . 0.0 110.587 -179.163 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.57 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -52.77 -82.99 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.359 -0.838 . . . . 0.0 110.968 -179.29 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 50.42 25.49 1.93 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.084 -1.01 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -163.49 152.52 12.19 Favored Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.532 -0.73 . . . . 0.0 110.536 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -75.27 62.12 6.01 Favored 'Trans proline' 0 C--N 1.316 -1.132 0 O-C-N 123.464 1.244 . . . . 0.0 110.358 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.02 -44.1 0.08 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.469 -0.77 . . . . 0.0 110.096 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -70.02 -52.96 19.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.494 -0.753 . . . . 0.0 110.139 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -61.08 -19.96 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.558 -0.714 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t -130.73 32.49 4.37 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.258 -0.901 . . . . 0.0 111.126 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.96 4.69 Favored Glycine 0 N--CA 1.495 2.616 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 53.63 18.95 1.61 Allowed 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.074 -1.251 . . . . 0.0 111.396 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.26 -55.55 3.48 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.27 -0.893 . . . . 0.0 110.095 179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.786 HD11 ' CB ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -64.86 -30.61 71.62 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.71 -0.619 . . . . 0.0 109.843 179.836 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -74.38 -49.36 22.97 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -57.49 -34.68 69.31 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.469 -0.769 . . . . 0.0 110.014 179.68 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.67 97.24 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.678 -0.639 . . . . 0.0 109.465 179.367 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.4 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 3.3 mtp -61.33 -51.39 69.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.637 -0.665 . . . . 0.0 110.047 179.67 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.65 -26.71 23.62 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.463 -0.773 . . . . 0.0 110.57 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -35.73 16.98 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.605 -0.684 . . . . 0.0 109.599 179.619 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.7 m -153.23 73.85 1.0 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.694 -0.629 . . . . 0.0 110.011 179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 p -107.39 177.94 4.69 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.565 -0.71 . . . . 0.0 110.387 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.5 tp -86.39 -34.55 20.15 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.706 -0.621 . . . . 0.0 110.077 179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.539 HG21 ' CG ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER -104.55 -154.62 0.51 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 109.49 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' O ' ' CD2' ' A' ' 44' ' ' HIS . 21.8 tt0 -129.73 107.3 9.32 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.353 -0.842 . . . . 0.0 110.399 179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CE1' ' CZ ' ' A' ' 5' ' ' PHE . 1.3 m-70 -164.58 157.28 16.81 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.682 -0.636 . . . . 0.0 110.522 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 142.17 28.35 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.297 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CZ2' ' HG2' ' A' ' 47' ' ' GLN . 11.4 p-90 -53.02 -31.57 41.87 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.447 -0.783 . . . . 0.0 110.927 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.428 ' HG2' ' CZ2' ' A' ' 46' ' ' TRP . 1.9 mm-40 -60.96 -45.91 92.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.599 -0.688 . . . . 0.0 110.061 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -67.31 -32.2 73.01 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.587 -0.696 . . . . 0.0 109.933 179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.5 mt -75.42 -30.42 60.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.581 -0.7 . . . . 0.0 109.576 179.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -74.1 -55.32 6.24 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.672 -0.642 . . . . 0.0 109.796 179.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -60.59 -32.21 71.33 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.671 -0.643 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' CZ ' HD11 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -66.4 -43.54 85.52 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.541 -0.725 . . . . 0.0 110.004 179.923 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.456 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 8.3 t80 -59.6 -37.43 78.53 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.371 -0.831 . . . . 0.0 110.199 -179.677 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.3 mt -91.34 -8.7 47.38 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.579 -0.7 . . . . 0.0 110.939 179.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 17.8 mmtt -73.65 -45.23 53.95 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.179 -0.951 . . . . 0.0 110.543 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.438 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -164.83 30.48 0.06 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.556 -0.715 . . . . 0.0 111.365 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 52' ' ' ARG . 58.3 mt -117.21 -47.37 2.67 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.484 -0.76 . . . . 0.0 109.607 178.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 32.5 ttt-85 -71.12 167.92 18.28 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.661 -0.649 . . . . 0.0 109.961 179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.504 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.963 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.54 135.4 51.24 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.615 -0.932 . . . . 0.0 110.196 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' A' ' 3' ' ' ILE . 11.3 tp -101.86 30.5 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.582 -0.699 . . . . 0.0 109.864 179.699 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -116.08 -174.86 2.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.496 -0.753 . . . . 0.0 109.939 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -138.14 92.77 2.69 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.412 -0.805 . . . . 0.0 110.521 179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -78.62 -178.2 5.76 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.583 -0.698 . . . . 0.0 109.862 179.645 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 11' ' ' VAL . 1.1 m-20 -60.87 -29.65 69.67 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.606 -0.684 . . . . 0.0 110.271 -179.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.75 -45.24 45.27 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.609 -0.682 . . . . 0.0 110.128 -179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' OD1' HG21 ' A' ' 42' ' ' THR . 0.5 OUTLIER -62.02 -42.01 98.7 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.559 -0.713 . . . . 0.0 110.168 179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.29 -39.68 83.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.481 -0.762 . . . . 0.0 110.179 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.762 ' O ' HG22 ' A' ' 15' ' ' THR . 65.1 t -71.38 -42.91 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.633 -0.667 . . . . 0.0 109.648 179.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.34 77.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.635 -0.665 . . . . 0.0 109.82 179.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 54.5 mt -68.68 -23.56 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.504 -0.747 . . . . 0.0 110.004 179.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.7 tp -81.75 -60.51 2.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.565 -0.709 . . . . 0.0 109.931 179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 11' ' ' VAL . 9.7 t -53.83 -29.7 42.09 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.484 -0.76 . . . . 0.0 110.776 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -74.18 -44.93 51.54 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.682 -0.636 . . . . 0.0 109.721 179.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.509 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 55.7 t -72.73 -46.38 54.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 121.344 0.592 . . . . 0.0 109.433 179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -60.99 -25.8 67.14 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.688 -0.633 . . . . 0.0 110.418 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.76 -43.6 12.41 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.455 -0.778 . . . . 0.0 110.674 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.556 ' HB3' HD11 ' A' ' 32' ' ' LEU . 64.5 m-20 -92.38 -62.83 1.32 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.408 -0.807 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.714 ' HB1' HG13 ' A' ' 27' ' ' VAL . . . -55.43 89.15 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 CA-C-O 121.276 0.56 . . . . 0.0 111.505 -178.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -122.41 -19.83 6.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.608 -0.682 . . . . 0.0 110.68 179.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.6 p -104.11 162.09 20.94 Favored Pre-proline 0 N--CA 1.493 1.702 0 O-C-N 121.317 -0.864 . . . . 0.0 110.276 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -76.71 62.08 7.12 Favored 'Trans proline' 0 C--N 1.317 -1.096 0 O-C-N 123.37 1.195 . . . . 0.0 110.058 179.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.2 t -157.37 -45.79 0.07 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.426 -0.796 . . . . 0.0 110.669 -179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.822 ' HB3' HD22 ' A' ' 32' ' ' LEU . 3.5 m -59.66 -60.91 3.08 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.419 -0.801 . . . . 0.0 110.513 -179.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.714 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.3 m -60.01 -32.19 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.489 -0.757 . . . . 0.0 110.712 -179.657 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.6 m -80.52 -28.84 37.27 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.568 -0.707 . . . . 0.0 110.6 -179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -96.5 -166.77 33.72 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -124.26 29.69 6.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.637 -0.92 . . . . 0.0 110.235 -179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.04 -54.72 3.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.477 -0.764 . . . . 0.0 110.396 -179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 26' ' ' SER . 3.9 tp -55.49 -36.41 66.62 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.33 -0.856 . . . . 0.0 109.861 179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -74.4 -45.11 48.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.695 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -59.37 -41.94 90.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.606 -0.684 . . . . 0.0 109.776 179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.11 -34.78 73.96 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.63 -0.669 . . . . 0.0 109.612 179.396 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.478 ' CE ' HD13 ' A' ' 49' ' ' LEU . 5.1 ttp -69.1 -39.47 78.97 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.587 -0.696 . . . . 0.0 109.393 179.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.34 -36.2 61.07 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.364 -0.835 . . . . 0.0 110.671 179.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -79.25 -30.02 42.95 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.576 -0.702 . . . . 0.0 110.512 -179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.1 m -144.73 64.6 1.29 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.24 -179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.6 t -91.12 168.29 11.73 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.562 -0.711 . . . . 0.0 110.563 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tt -85.45 -30.54 23.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.747 -0.595 . . . . 0.0 109.803 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 43' ' ' GLN . 0.2 OUTLIER -116.3 -154.65 0.56 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.64 -0.662 . . . . 0.0 109.436 179.836 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.433 ' H ' HG22 ' A' ' 42' ' ' THR . 5.2 mp0 -117.73 102.93 9.53 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.343 -0.848 . . . . 0.0 110.35 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.415 ' CD2' ' O ' ' A' ' 43' ' ' GLN . 0.8 OUTLIER -164.07 153.58 14.19 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.653 -0.654 . . . . 0.0 110.612 179.833 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.36 -172.87 2.26 Favored 'General case' 0 N--CA 1.494 1.771 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.09 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 14.6 p-90 -91.36 -33.47 15.27 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.729 -0.788 . . . . 0.0 109.765 179.678 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 2.5 tt0 -65.27 -49.16 70.64 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.746 -0.597 . . . . 0.0 110.47 -179.483 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.8 t -56.83 -27.27 59.87 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.539 -0.725 . . . . 0.0 110.503 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD13 ' CE ' ' A' ' 36' ' ' MET . 66.2 mt -85.39 -36.19 20.87 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.662 -0.649 . . . . 0.0 109.505 179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -75.11 -39.01 60.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.682 -0.636 . . . . 0.0 110.101 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -66.77 -49.74 64.91 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.709 -0.619 . . . . 0.0 110.427 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' HD3' ' NE2' ' A' ' 56' ' ' HIS . 0.6 OUTLIER -61.77 -29.34 70.07 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.572 -0.705 . . . . 0.0 110.337 -179.623 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' CE1' HG11 ' A' ' 17' ' ' VAL . 13.4 t80 -63.19 -63.62 1.14 Allowed 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.239 -179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.3 mt -67.07 -20.95 65.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.513 -0.742 . . . . 0.0 110.683 179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -63.25 -52.75 60.86 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.412 -0.805 . . . . 0.0 110.95 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' HD3' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -156.62 40.64 0.34 Allowed 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.296 -0.878 . . . . 0.0 111.576 -179.163 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 53' ' ' TYR . 96.0 mt -137.67 -44.9 0.54 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.396 -0.815 . . . . 0.0 109.853 178.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.56 97.14 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.554 -0.716 . . . . 0.0 110.227 179.713 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.583 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.93 148.53 28.51 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.492 -1.005 . . . . 0.0 110.403 179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.611 ' O ' HG22 ' A' ' 3' ' ' ILE . 4.3 mp -137.91 35.36 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.392 -0.818 . . . . 0.0 109.988 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 52.18 -169.21 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.277 -0.889 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -145.58 148.94 33.7 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.556 -0.715 . . . . 0.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.4 p -136.32 -164.93 1.64 Allowed 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.633 -0.667 . . . . 0.0 109.842 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.2 m-20 -75.79 -27.63 58.07 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.483 -0.761 . . . . 0.0 110.195 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.23 -39.85 71.45 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.52 -0.737 . . . . 0.0 110.165 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.96 -42.74 80.43 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.57 -0.706 . . . . 0.0 110.207 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -59.77 -39.5 85.08 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.358 -0.839 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 7' ' ' ASP . 69.1 t -68.22 -45.52 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.419 -0.801 . . . . 0.0 109.878 179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.41 86.23 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.532 -0.73 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.693 ' O ' HG23 ' A' ' 17' ' ' VAL . 84.7 mt -61.64 -51.68 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.487 -0.758 . . . . 0.0 109.914 -179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.74 -57.5 8.79 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.571 -0.706 . . . . 0.0 109.894 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.7 m -52.24 -37.29 54.84 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.285 -0.884 . . . . 0.0 110.827 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 36' ' ' MET . 32.7 t80 -69.49 -46.24 67.06 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.572 -0.705 . . . . 0.0 109.802 179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 13' ' ' ILE . 94.7 t -64.33 -56.76 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.578 -0.701 . . . . 0.0 110.457 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.24 -22.15 16.91 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.289 -0.882 . . . . 0.0 111.04 -179.604 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -84.7 -22.34 29.8 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.422 -0.799 . . . . 0.0 111.206 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.713 ' HB2' HD21 ' A' ' 32' ' ' LEU . 34.7 m-20 -116.56 -52.59 2.55 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.271 -0.893 . . . . 0.0 111.151 -179.191 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.665 ' HB2' HD22 ' A' ' 32' ' ' LEU . . . -50.86 -82.82 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.525 -0.735 . . . . 0.0 111.853 -178.27 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 53.14 31.95 12.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.114 -0.991 . . . . 0.0 110.569 -179.432 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.9 p -166.69 154.28 8.9 Favored Pre-proline 0 N--CA 1.496 1.848 0 O-C-N 121.511 -0.743 . . . . 0.0 110.527 -179.928 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -78.75 59.85 7.44 Favored 'Trans proline' 0 C--N 1.318 -1.05 0 O-C-N 123.333 1.175 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 t -154.5 -56.69 0.11 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.511 -0.743 . . . . 0.0 109.741 179.827 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 p -57.88 -37.0 73.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.639 -0.663 . . . . 0.0 110.164 179.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 HG13 ' HB1' ' A' ' 21' ' ' ALA . 34.0 m -78.55 -21.09 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.626 -0.671 . . . . 0.0 110.796 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.9 m -97.02 -29.61 13.54 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.347 -0.846 . . . . 0.0 110.423 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -92.19 -170.01 40.98 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -115.36 33.8 5.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.574 -0.957 . . . . 0.0 109.958 -179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.21 -65.96 0.97 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.537 -0.727 . . . . 0.0 110.54 -179.499 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD21 ' HB2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -54.52 -28.44 45.34 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.547 -0.721 . . . . 0.0 110.508 -179.933 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.503 ' CH2' HG21 ' A' ' 17' ' ' VAL . 66.6 m95 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.68 -0.637 . . . . 0.0 109.318 179.773 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -53.76 -41.67 67.41 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.374 -0.829 . . . . 0.0 110.118 179.311 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.618 -0.676 . . . . 0.0 109.422 179.139 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 16' ' ' TYR . 8.5 ttm -62.94 -50.88 69.07 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.71 -0.619 . . . . 0.0 109.619 179.416 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -50.26 -39.91 46.37 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.431 -0.793 . . . . 0.0 111.117 -179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -61.59 -40.83 96.17 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.511 -0.743 . . . . 0.0 110.038 179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.3 m -120.73 -72.97 0.66 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.654 -0.654 . . . . 0.0 110.047 179.765 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 t 54.25 173.51 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.031 0 CA-C-O 121.536 0.684 . . . . 0.0 111.015 179.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.3 tp -102.68 -32.0 10.08 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.3 p -105.46 -159.21 0.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -119.07 90.74 3.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.455 -0.778 . . . . 0.0 110.239 179.68 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -149.84 172.64 14.83 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.478 -0.764 . . . . 0.0 111.129 -179.812 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -165.94 1.47 Allowed 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.709 -0.619 . . . . 0.0 109.685 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.462 ' CD2' ' N ' ' A' ' 47' ' ' GLN . 8.4 p-90 -104.06 -37.2 7.44 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.326 -0.859 . . . . 0.0 110.558 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.462 ' N ' ' CD2' ' A' ' 46' ' ' TRP . 1.6 tt0 -67.57 -44.72 77.52 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.469 -0.769 . . . . 0.0 110.536 -179.386 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -59.87 -32.31 70.59 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.521 -0.737 . . . . 0.0 110.144 -179.83 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.2 mt -85.08 -30.71 23.84 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.69 -0.631 . . . . 0.0 109.423 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -38.99 66.22 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.636 -0.665 . . . . 0.0 110.126 179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -69.96 -43.33 71.78 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.625 -0.672 . . . . 0.0 110.219 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -61.2 -38.94 88.37 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.486 -0.759 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' HA ' HD12 ' A' ' 57' ' ' LEU . 9.3 t80 -58.43 -48.73 79.76 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.505 -0.747 . . . . 0.0 110.476 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.5 mt -80.81 -19.63 44.26 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.331 -0.855 . . . . 0.0 110.363 179.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 52' ' ' ARG . 0.2 OUTLIER -59.69 -54.41 46.68 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.369 -0.832 . . . . 0.0 110.128 179.984 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.43 ' NE2' ' CD ' ' A' ' 52' ' ' ARG . 0.4 OUTLIER -164.76 42.97 0.08 Allowed 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 119.844 -0.743 . . . . 0.0 111.68 179.822 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.556 HD12 ' HA ' ' A' ' 53' ' ' TYR . 74.8 mt -121.5 -60.73 1.59 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 178.283 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.02 79.8 2.2 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.708 -0.62 . . . . 0.0 109.804 179.389 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.491 0 CA-C-O 117.988 -1.451 . . . . 0.0 109.502 -179.789 . . . . . . . . 0 0 . 1 stop_ save_